--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/createMSP_output_av_inter.msp	Wed Nov 27 13:35:22 2019 -0500
@@ -0,0 +1,3182 @@
+RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484
+AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903
+XCMS groupid (grpid): 12
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+112.050884246826	502873.46875	100
+126.53768157959	2499.31469726562	0.5
+
+RECORD_TITLE: MZ:113.0354 | RT:83.4 | grpid:14 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 113.03541992282
+AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
+XCMS groupid (grpid): 14
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+112.999992370605	67035.0703125	0.63
+113.03479385376	10613844.25	100
+
+RECORD_TITLE: MZ:116.0706 | RT:47.7 | grpid:17 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 116.070637437099
+AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
+XCMS groupid (grpid): 17
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+116.016647338867	4672.2880859375	2.97
+116.070896148682	157547.453125	100
+116.107257843018	6525.58282470703	4.14
+
+RECORD_TITLE: MZ:132.1018 | RT:73.5 | grpid:41 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 132.101827805179
+AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172
+XCMS groupid (grpid): 41
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+132.102035522461	338114.46875	100
+
+RECORD_TITLE: MZ:137.0456 | RT:127 | grpid:47 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 137.045578757527
+AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
+XCMS groupid (grpid): 47
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+104.860054016113	30638.400390625	0.26
+109.06566619873	2550.77392578125	0.02
+110.028198242188	67928.296875	0.58
+110.035272598267	511818.559082031	4.38
+110.559509277344	33952.66015625	0.29
+112.050750732422	24920.3304443359	0.21
+119.020355224609	16488.48828125	0.14
+119.035472869873	376451.501953125	3.22
+127.993309020996	1960.09631347656	0.02
+128.04508972168	18434.0234375	0.16
+128.045852661133	75962.28125	0.65
+136.124038696289	2269.25805664062	0.02
+137.045829772949	11689172.5	100
+138.029312133789	2125.6455078125	0.02
+138.030548095703	43127.65234375	0.37
+154.112442016602	2006.76232910156	0.02
+159.283874511719	2343.61376953125	0.02
+
+RECORD_TITLE: MZ:138.0547 | RT:50.7 | grpid:48 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 138.05471057982
+AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
+XCMS groupid (grpid): 48
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+110.060352325439	34625.283203125	7.61
+110.072189331055	8668.18530273438	1.9
+138.054901123047	455046.234375	100
+
+RECORD_TITLE: MZ:138.0487 | RT:127 | grpid:49 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 138.048727400006
+AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
+XCMS groupid (grpid): 49
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+110.035133361816	4197.11962890625	0.87
+111.032066345215	3606.22302246094	0.75
+111.038753509521	22056.884765625	4.56
+120.031585693359	3442.69409179688	0.71
+120.038921356201	14920.083984375	3.08
+131.267166137695	2650.74243164062	0.55
+137.396865844727	3584.59228515625	0.74
+138.050010681152	483746.53125	100
+
+RECORD_TITLE: MZ:140.0678 | RT:46.2 | grpid:51 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 140.067802644286
+AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
+XCMS groupid (grpid): 51
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+108.959754943848	2408.8056640625	0.05
+114.089179992676	568595.515625	10.75
+140.06812286377	5286829.375	100
+143.032638549805	2735.88037109375	0.05
+
+RECORD_TITLE: MZ:146.1174 | RT:46.2 | grpid:62 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 146.117395027245
+AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
+XCMS groupid (grpid): 62
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+100.021862030029	18680.7416992188	0.38
+101.070411682129	2306.69653320312	0.05
+102.055847167969	2466.92114257812	0.05
+108.055778503418	11361.3504638672	0.23
+112.465751647949	20960.951171875	0.42
+114.566963195801	2266.10009765625	0.05
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+125.844314575195	2225.98388671875	0.04
+128.070281982422	32862.80078125	0.66
+128.070991516113	7382.12426757812	0.15
+130.04967880249	12921.7691040039	0.26
+130.086532592773	3415.60205078125	0.07
+144.766357421875	23252.271484375	0.47
+146.028373718262	7016.0517578125	0.14
+146.059921264648	10817.2392578125	0.22
+146.117538452148	4981335.953125	100
+147.075866699219	2905.49487304688	0.06
+150.785629272461	2500.5302734375	0.05
+
+RECORD_TITLE: MZ:147.0438 | RT:70.5 | grpid:63 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 147.043849698061
+AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
+XCMS groupid (grpid): 63
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+101.071350097656	3517.31768798828	0.11
+102.047164916992	3041.80541992188	0.09
+102.055267333984	4384.31787109375	0.13
+103.048835754395	5009.00244140625	0.15
+103.054626464844	208935.12890625	6.39
+112.236755371094	2519.7568359375	0.08
+119.049339294434	3269072.0625	100
+120.011459350586	3004.84851074219	0.09
+123.77320098877	3188.40380859375	0.1
+124.979553222656	2343.61987304688	0.07
+126.545722961426	2381.10522460938	0.07
+129.07007598877	3479.66351318359	0.11
+129.10237121582	3090.92822265625	0.09
+130.05001449585	67457.0048828125	2.06
+130.076995849609	5364.62841796875	0.16
+130.086269378662	95221.994140625	2.91
+131.550384521484	3396.27563476562	0.1
+136.545654296875	2581.0390625	0.08
+147.043979644775	923498.71875	28.25
+147.079299926758	12881.609375	0.39
+147.080383300781	14796.041015625	0.45
+147.112648010254	9715.71276855469	0.3
+152.669158935547	2885.892578125	0.09
+160.075782775879	5639.66687011719	0.17
+
+RECORD_TITLE: MZ:148.0427 | RT:64.4 | grpid:66 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 148.042683925669
+AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
+XCMS groupid (grpid): 66
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+102.001239776611	494904.296875	28.13
+102.037693023682	32286.736328125	1.84
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+102.902954101562	2297.19018554688	0.13
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+130.086097717285	5192.6826171875	0.3
+131.052658081055	3329.10791015625	0.19
+131.053466796875	4939.97802734375	0.28
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+133.019264221191	32773.8134765625	1.86
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+134.027465820312	5199.03125	0.3
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+157.48600769043	2885.98486328125	0.16
+160.701766967773	2493.13793945312	0.14
+
+RECORD_TITLE: MZ:149.0263 | RT:91.2 | grpid:67 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 149.026338801704
+AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956
+XCMS groupid (grpid): 67
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+104.016593933105	35712.279296875	1.48
+109.031856536865	23852.3662109375	0.99
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+112.343109130859	2894.3193359375	0.12
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+116.986122131348	54931.22265625	2.27
+120.011371612549	254724.15625	10.55
+121.015331268311	3790.49938964844	0.16
+121.028656005859	78045.68359375	3.23
+121.038391113281	5323.67114257812	0.22
+121.065780639648	3160.08813476562	0.13
+125.026542663574	18349.87890625	0.76
+129.021514892578	76939.79296875	3.19
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+132.047546386719	5366.337890625	0.22
+134.026878356934	154087.6953125	6.38
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+136.622482299805	2669.64990234375	0.11
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+149.026321411133	1661629.9375	68.79
+152.037406921387	23825.5322265625	0.99
+153.007194519043	11686.4731445312	0.48
+158.012702941895	18203.15625	0.75
+
+RECORD_TITLE: MZ:150.0582 | RT:62.9 | grpid:68 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 150.058153535588
+AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
+XCMS groupid (grpid): 68
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+101.579109191895	20766.212890625	0.27
+102.05541229248	2220236.12402344	29.19
+103.99649810791	3555.7119140625	0.05
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+104.053255081177	7605108.34375	100
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+105.037208557129	269623.984375	3.55
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+133.03186416626	5109359	67.18
+137.41633605957	30549.828125	0.4
+143.242492675781	2529.74877929688	0.03
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+150.03832244873	33152.48828125	0.44
+150.058116912842	925014.542236328	12.16
+150.090744018555	4340.6669921875	0.06
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+150.128646850586	2830.20849609375	0.04
+155.097625732422	22783.2734375	0.3
+
+RECORD_TITLE: MZ:153.0407 | RT:84.2 | grpid:72 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 153.040721562011
+AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
+XCMS groupid (grpid): 72
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
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+110.03524017334	1040448.5625	30.96
+111.044418334961	11947.40625	0.36
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+148.740234375	2312.7158203125	0.07
+153.040702819824	3360667.8125	100
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+154.02466583252	1512312.21875	45
+158.011642456055	3504.88745117188	0.1
+168.04069519043	26535.353515625	0.79
+
+RECORD_TITLE: MZ:156.0762 | RT:47.7 | grpid:75 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 156.076172444314
+AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
+XCMS groupid (grpid): 75
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+110.071624755859	233266.3125	49.12
+111.068424224854	75318.78125	15.86
+111.074996948242	474849.578125	100
+121.10139465332	2579.52172851562	0.54
+130.062957763672	212641.395141602	44.78
+139.086585998535	11337.1794433594	2.39
+139.111877441406	3248.52099609375	0.68
+157.080718994141	80493.08203125	16.95
+157.097686767578	8786.46240234375	1.85
+
+RECORD_TITLE: MZ:158.0912 | RT:43.9 | grpid:77 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 158.091194778484
+AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
+XCMS groupid (grpid): 77
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+102.091789245605	36397.75	12.2
+107.244758605957	2121.91967773438	0.71
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+112.079177856445	4014.5673828125	1.35
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+113.071388244629	4898.7001953125	1.64
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+131.929992675781	2230.50756835938	0.75
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+158.092407226562	298314.3125	100
+158.153930664062	75786.8203125	25.41
+158.583435058594	2426.4375	0.81
+159.07698059082	3112.70642089844	1.04
+159.090621948242	2369.67138671875	0.79
+
+RECORD_TITLE: MZ:164.93 | RT:40.2 | grpid:88 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 164.929981664987
+AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702
+XCMS groupid (grpid): 88
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+113.554153442383	2184.888671875	0.2
+140.266235351562	2726.23486328125	0.25
+164.930236816406	1078114.4375	100
+165.09033203125	2780.28442382812	0.26
+
+RECORD_TITLE: MZ:165.0545 | RT:70.5 | grpid:89 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 165.054460611227
+AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
+XCMS groupid (grpid): 89
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+100.539291381836	3935.75927734375	0.06
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+109.065114974976	204048.1640625	3.09
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+118.064872741699	5888.3603515625	0.09
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+119.961051940918	2566.78955078125	0.04
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+137.0966796875	2327.9169921875	0.04
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+RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:NA | adduct:NA
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+RECORD_TITLE: MZ:178.0573 | RT:45.4 | grpid:106 | file:NA | adduct:NA
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+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
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+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
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+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
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+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
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+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
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+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
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+RECORD_TITLE: MZ:204.1213 | RT:56.8 | grpid:152 | file:NA | adduct:NA
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+RECORD_TITLE: MZ:207.016 | RT:41.8 | grpid:158 | file:NA | adduct:NA
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+RECORD_TITLE: MZ:214.0624 | RT:55.4 | grpid:172 | file:NA | adduct:NA
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+RECORD_TITLE: MZ:218.1384 | RT:89.6 | grpid:180 | file:NA | adduct:NA
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+RECORD_TITLE: MZ:219.1345 | RT:84.2 | grpid:182 | file:NA | adduct:NA
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+RECORD_TITLE: MZ:227.1131 | RT:46.9 | grpid:199 | file:NA | adduct:NA
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+RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:NA | adduct:NA
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+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
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+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 40
+PK$PEAK: m/z int. rel.int.
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+RECORD_TITLE: MZ:352.0633 | RT:112 | grpid:488 | file:NA | adduct:NA
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+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
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+RECORD_TITLE: MZ:361.1381 | RT:70.6 | grpid:513 | file:NA | adduct:NA
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+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 85
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+RECORD_TITLE: MZ:362.1915 | RT:64.4 | grpid:515 | file:NA | adduct:NA
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+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
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+RECORD_TITLE: MZ:363.1562 | RT:69.7 | grpid:518 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.156167686281
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+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
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+RECORD_TITLE: MZ:369.1509 | RT:118.6 | grpid:537 | file:NA | adduct:NA
+MS$FOCUSED_ION: PRECURSOR_M/Z 369.150928816373
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+XCMS groupid (grpid): 537
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 5
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+RECORD_TITLE: MZ:375.1875 | RT:51.4 | grpid:551 | file:NA | adduct:NA
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+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
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+RECORD_TITLE: MZ:394.1621 | RT:112 | grpid:596 | file:NA | adduct:NA
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+XCMS groupid (grpid): 596
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 29
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+RECORD_TITLE: MZ:401.0617 | RT:34 | grpid:612 | file:NA | adduct:NA
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+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
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+RECORD_TITLE: MZ:404.1419 | RT:126.2 | grpid:618 | file:NA | adduct:NA
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+XCMS groupid (grpid): 618
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
+PK$NUM_PEAK: 12
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+RECORD_TITLE: MZ:476.1907 | RT:81.2 | grpid:787 | file:NA | adduct:NA
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+RECORD_TITLE: MZ:487.1812 | RT:66.7 | grpid:812 | file:NA | adduct:NA
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+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
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+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
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+RECORD_TITLE: MZ:498.1693 | RT:81.2 | grpid:840 | file:NA | adduct:NA
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+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_inter' msPurity version:1.12.0 
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