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Smoke_Inhalation_BALF_(+)_2021-10-08_12-49-38.sky.zip

NCSU Baker Lab - Smoke Inhalation and SRM 1950

Document Summary

 

Small Molecule Precursor List

 
Molecule List Note/Annotations
 
ANA (Anandamide) 
Molecule Note/Annotations
Precursor Note/Annotations
ANA(16:1)C18H35NO2297.4787297.2668ANA(16:1)1+298.2741297.4787297.26683
AC (Acyl carnitine) 
Molecule Note/Annotations
Precursor Note/Annotations
AC(10:0)C17H33NO4315.4508315.2410AC(10:0)1+316.2482315.4508315.24104
AC(12:1)C19H35NO4341.4883341.2566AC(12:1)1+342.2639341.4883341.25664
AC(12:0)C19H37NO4343.5042343.2723AC(12:0)1+344.2795343.5042343.27234
AC(14:0)C21H41NO4371.5577371.3036AC(14:0)1+372.3108371.5577371.30364
AC(16:0)C23H45NO4399.6112399.3349AC(16:0)1+400.3421399.6112399.33494
AC(18:2)C25H45NO4423.6329423.3349AC(18:2)1+424.3421423.6329423.33494
AC(18:1)C25H47NO4425.6487425.3505AC(18:1)1+426.3578425.6487425.35054
AC(18:0)C25H49NO4427.6646427.3662AC(18:0)1+428.3734427.6646427.36624
LPC (Lyso phosphatidylcholine) 
Molecule Note/Annotations
Precursor Note/Annotations
LPC(0:0/15:0)C23H48NO7P481.6069481.3168LPC(0:0/15:0)1+482.3241481.6069481.31684
LPC(0:0/15:0)C23H48NO7P481.6069481.3168LPC(0:0/15:0)1+504.3061481.6069481.31685
LPC(15:0/0:0)C23H48NO7P481.6069481.3168LPC(15:0/0:0)1+482.3241481.6069481.31684
LPC(15:0/0:0)C23H48NO7P481.6069481.3168LPC(15:0/0:0)1+504.3061481.6069481.31685
LPC(0:0/20:5)C28H48NO7P541.6612541.3168LPC(0:0/20:5)1+542.3241541.6612541.31684
LPC(0:0/20:5)C28H48NO7P541.6612541.3168LPC(0:0/20:5)1+564.3061541.6612541.31685
LPC(20:5/0:0)C28H48NO7P541.6612541.3168LPC(20:5/0:0)1+542.3241541.6612541.31684
LPC(20:5/0:0)C28H48NO7P541.6612541.3168LPC(20:5/0:0)1+564.3061541.6612541.31685
LPC(20:2_0:0)C28H54NO7P547.7088547.3638LPC(20:2_0:0)1+548.3711547.7088547.36384
LPC(20:2_0:0)C28H54NO7P547.7088547.3638LPC(20:2_0:0)1+570.3530547.7088547.36385
LPC(0:0/22:6)C30H50NO7P567.6988567.3325LPC(0:0/22:6)1+568.3398567.6988567.33254
LPC(0:0/22:6)C30H50NO7P567.6988567.3325LPC(0:0/22:6)1+590.3217567.6988567.33255
LPC(22:6/0:0)C30H50NO7P567.6988567.3325LPC(22:6/0:0)1+568.3398567.6988567.33254
LPC(22:6/0:0)C30H50NO7P567.6988567.3325LPC(22:6/0:0)1+590.3217567.6988567.33255
LPC(22:5_0:0)C30H52NO7P569.7146569.3481LPC(22:5_0:0)1+570.3554569.7146569.34814
LPC(22:5_0:0)C30H52NO7P569.7146569.3481LPC(22:5_0:0)1+592.3374569.7146569.34815
LPE (Lyso phosphatidylethanolamine) 
Molecule Note/Annotations
Precursor Note/Annotations
LPE(0:0/18:0)C23H48NO7P481.6069481.3168LPE(0:0/18:0)1+482.3241481.6069481.31684
LPE(0:0/18:0)C23H48NO7P481.6069481.3168LPE(0:0/18:0)1+504.3061481.6069481.31685
LPE(18:0/0:0)C23H48NO7P481.6069481.3168LPE(18:0/0:0)1+482.3241481.6069481.31684
LPE(18:0/0:0)C23H48NO7P481.6069481.3168LPE(18:0/0:0)1+504.3061481.6069481.31685
LPE(0:0/22:6)C27H44NO7P525.6186525.2855LPE(0:0/22:6)1+526.2928525.6186525.28554
LPE(0:0/22:6)C27H44NO7P525.6186525.2855LPE(0:0/22:6)1+548.2748525.6186525.28555
LPE(22:6/0:0)C27H44NO7P525.6186525.2855LPE(22:6/0:0)1+526.2928525.6186525.28554
LPE(22:6/0:0)C27H44NO7P525.6186525.2855LPE(22:6/0:0)1+548.2748525.6186525.28555
DG (Diacylglycerol) 
Molecule Note/Annotations
Precursor Note/Annotations
DG(16:0_18:1)C37H70O5594.9543594.5223DG(16:0_18:1)1+612.5562594.9543594.52235
DG(18:1_18:2)C39H70O5618.9759618.5223DG(18:1_18:2)1+636.5562618.9759618.52235
DG(18:1_18:1)C39H72O5620.9918620.5380DG(18:1_18:1)1+638.5718620.9918620.53804
DG(18:0_18:1)C39H74O5623.0077622.5536DG(18:0_18:1)1+640.5875623.0077622.55365
SM (Sphingomyelin) 
Molecule Note/Annotations
Precursor Note/Annotations
SM(d16:1/16:0);SM(d18:1/14:0)C37H75N2O6P674.9805674.5363SM(d16:1/16:0);SM(d18:1/14:0)1+675.5436674.9805674.53635
SM(d32:0)C37H77N2O6P676.9964676.5519SM(d32:0)1+677.5592676.9964676.55193
SM(d17:1/16:0)C38H77N2O6P689.0072688.5519SM(d17:1/16:0)1+689.5592689.0072688.55194
SM(d16:1/18:3)C39H73N2O6P696.9863696.5206SM(d16:1/18:3)1+697.5279696.9863696.52064
SM(d34:1)C39H79N2O6P703.0340702.5676SM(d34:1)1+703.5749703.0340702.56763
SM(d17:1/18:3)C40H75N2O6P711.0131710.5363SM(d17:1/18:3)1+711.5436711.0131710.53634
SM(d36:5)C41H75N2O6P723.0239722.5363SM(d36:5)1+723.5436723.0239722.53633
SM(d18:1/18:3)aC41H77N2O6P725.0398724.5519SM(d18:1/18:3)a1+725.5592725.0398724.55194
SM(d18:1/18:3)bC41H77N2O6P725.0398724.5519SM(d18:1/18:3)b1+725.5592725.0398724.55194
SM(d18:2/18:0)C41H81N2O6P729.0716728.5832SM(d18:2/18:0)1+729.5905729.0716728.58324
SM(d18:1/18:0)C41H83N2O6P731.0874730.5989SM(d18:1/18:0)1+731.6062731.0874730.59894
SM(d18:0/18:0)C41H85N2O6P733.1033732.6145SM(d18:0/18:0)1+733.6218733.1033732.61454
SM(d18:1/20:4)C43H79N2O6P751.0774750.5676SM(d18:1/20:4)1+751.5749751.0774750.56764
SM(d16:1/22:3);SM(d18:1/20:3)C43H81N2O6P753.0933752.5832SM(d16:1/22:3);SM(d18:1/20:3)1+753.5905753.0933752.58325
SM(d18:1/20:1)C43H85N2O6P757.1250756.6145SM(d18:1/20:1)1+757.6218757.1250756.61454
SM(d18:1/20:0)C43H87N2O6P759.1409758.6302SM(d18:1/20:0)1+759.6375759.1409758.63024
SM(d16:1/24:1)C45H89N2O6P785.1785784.6458SM(d16:1/24:1)1+785.6531785.1785784.64584
SM(d18:1/22:1);SM(d18:2/22:0)C45H89N2O6P785.1785784.6458SM(d18:1/22:1);SM(d18:2/22:0)1+785.6531785.1785784.64585
SM(d18:1/22:0)C45H91N2O6P787.1944786.6615SM(d18:1/22:0)1+787.6688787.1944786.66154
SM(d41:2)aC46H91N2O6P799.2052798.6615SM(d41:2)a1+799.6688799.2052798.66153
SM(d41:2)bC46H91N2O6P799.2052798.6615SM(d41:2)b1+799.6688799.2052798.66153
SM(d17:1/24:0);SM(d18:1/23:0)C46H93N2O6P801.2211800.6771SM(d17:1/24:0);SM(d18:1/23:0)1+801.6844801.2211800.67714
SM(d42:5)aC47H87N2O6P807.1843806.6302SM(d42:5)a1+807.6375807.1843806.63023
SM(d42:5)bC47H87N2O6P807.1843806.6302SM(d42:5)b1+807.6375807.1843806.63023
SM(d42:4)C47H89N2O6P809.2002808.6458SM(d42:4)1+809.6531809.2002808.64583
SM(d42:2)C47H93N2O6P813.2319812.6771SM(d42:2)1+813.6844813.2319812.67713
SM(d43:4)C48H91N2O6P823.2269822.6615SM(d43:4)1+823.6688823.2269822.66153
SM(d44:5)C49H91N2O6P835.2378834.6615SM(d44:5)1+835.6688835.2378834.66153
SM(d44:4)C49H93N2O6P837.2536836.6771SM(d44:4)1+837.6844837.2536836.67713
CE (Cholesterol ester) 
Molecule Note/Annotations
Precursor Note/Annotations
CE(18:2)C45H76O2649.0905648.5845CE(18:2)1+666.6184649.0905648.58454
CE(20:4)C47H76O2673.1122672.5845CE(20:4)1+690.6184673.1122672.58454
CE(22:6)C49H76O2697.1339696.5845CE(22:6)1+714.6184697.1339696.58454
PC (Phosphatidylcholine) 
Molecule Note/Annotations
Precursor Note/Annotations
PC(28:0)C36H72NO8P677.9379677.4996PC(28:0)1+678.5068677.9379677.49963
PC(28:0)C36H72NO8P677.9379677.4996PC(28:0)1+700.4888677.9379677.49966
PC(14:0_18:1);PC(16:0_16:1)C40H78NO8P732.0290731.5465PC(14:0_18:1);PC(16:0_16:1)1+732.5538732.0290731.54655
PC(14:0_18:1);PC(16:0_16:1)C40H78NO8P732.0290731.5465PC(14:0_18:1);PC(16:0_16:1)1+754.5357732.0290731.546514
PC(14:0_20:5)C42H74NO8P752.0189751.5152PC(14:0_20:5)1+752.5225752.0189751.51525
PC(17:0_18:2)aC43H82NO8P772.0933771.5778PC(17:0_18:2)a1+772.5851772.0933771.57785
PC(17:0_18:2)bC43H82NO8P772.0933771.5778PC(17:0_18:2)b1+772.5851772.0933771.57785
PC(18:2_18:3)C44H78NO8P780.0724779.5465PC(18:2_18:3)1+780.5538780.0724779.54655
PC(18:2_18:3)C44H78NO8P780.0724779.5465PC(18:2_18:3)1+802.5357780.0724779.546514
PC(16:0_20:5)C44H78NO8P780.0724779.5465PC(16:0_20:5)1+780.5538780.0724779.54655
PC(16:0_20:5)C44H78NO8P780.0724779.5465PC(16:0_20:5)1+802.5357780.0724779.546514
PC(16:0_20:4);PC(18:1_18:3)C44H80NO8P782.0883781.5622PC(16:0_20:4);PC(18:1_18:3)1+782.5694782.0883781.56227
PC(16:0_20:4);PC(18:1_18:3)C44H80NO8P782.0883781.5622PC(16:0_20:4);PC(18:1_18:3)1+804.5514782.0883781.562222
PC(18:2/18:2)C44H80NO8P782.0883781.5622PC(18:2/18:2)1+782.5694782.0883781.56224
PC(18:2/18:2)C44H80NO8P782.0883781.5622PC(18:2/18:2)1+804.5514782.0883781.562210
PC(37:6)C45H78NO8P792.0832791.5465PC(37:6)1+792.5538792.0832791.54653
PC(37:6)C45H78NO8P792.0832791.5465PC(37:6)1+814.5357792.0832791.54656
PC(37:4)aC45H82NO8P796.1150795.5778PC(37:4)a1+796.5851796.1150795.57783
PC(37:4)aC45H82NO8P796.1150795.5778PC(37:4)a1+818.5670796.1150795.57786
PC(37:4)bC45H82NO8P796.1150795.5778PC(37:4)b1+796.5851796.1150795.57783
PC(37:4)bC45H82NO8P796.1150795.5778PC(37:4)b1+818.5670796.1150795.57786
PC(17:0_20:4)C45H82NO8P796.1150795.5778PC(17:0_20:4)1+796.5851796.1150795.57785
PC(17:0_20:4)C45H82NO8P796.1150795.5778PC(17:0_20:4)1+818.5670796.1150795.577814
PC(18:2_20:4)C46H80NO8P806.1100805.5622PC(18:2_20:4)1+806.5694806.1100805.56225
PC(18:2_20:4)C46H80NO8P806.1100805.5622PC(18:2_20:4)1+828.5514806.1100805.562214
PC(16:0_22:5);PC(18:0_20:5)C46H82NO8P808.1258807.5778PC(16:0_22:5);PC(18:0_20:5)1+808.5851808.1258807.57787
PC(16:0_22:5);PC(18:0_20:5)C46H82NO8P808.1258807.5778PC(16:0_22:5);PC(18:0_20:5)1+830.5670808.1258807.577822
PC(18:1_20:4)C46H82NO8P808.1258807.5778PC(18:1_20:4)1+808.5851808.1258807.57785
PC(18:1_20:4)C46H82NO8P808.1258807.5778PC(18:1_20:4)1+830.5670808.1258807.577814
PC(18:0_20:2)C46H88NO8P814.1735813.6248PC(18:0_20:2)1+814.6320814.1735813.62485
PC(18:0_20:2)C46H88NO8P814.1735813.6248PC(18:0_20:2)1+836.6140814.1735813.624814
PC(18:0_20:1)C46H90NO8P816.1894815.6404PC(18:0_20:1)1+816.6477816.1894815.64045
PC(18:0_20:1)C46H90NO8P816.1894815.6404PC(18:0_20:1)1+838.6296816.1894815.640414
PC(18:1_22:5)C48H84NO8P834.1634833.5935PC(18:1_22:5)1+834.6007834.1634833.59355
PC(18:1_22:5)C48H84NO8P834.1634833.5935PC(18:1_22:5)1+856.5827834.1634833.593514
PC(18:0_22:4)C48H88NO8P838.1952837.6248PC(18:0_22:4)1+838.6320838.1952837.62485
PC(18:0_22:4)C48H88NO8P838.1952837.6248PC(18:0_22:4)1+860.6140838.1952837.624814
PE (Phosphatidylethanolamine) 
Molecule Note/Annotations
Precursor Note/Annotations
PE(18:1_20:5)C43H74NO8P764.0298763.5152PE(18:1_20:5)1+764.5225764.0298763.51526
PE(18:1_20:5)C43H74NO8P764.0298763.5152PE(18:1_20:5)1+786.5044764.0298763.51528
PE(18:1_20:4)C43H76NO8P766.0457765.5309PE(18:1_20:4)1+766.5381766.0457765.53096
PE(18:1_20:4)C43H76NO8P766.0457765.5309PE(18:1_20:4)1+788.5201766.0457765.53098
PC(O/P-) (Akyl/alkenyl ether phosphatidylcholine) 
Molecule Note/Annotations
Precursor Note/Annotations
PC(P-16:0/16:0)C40H80NO7P718.0455717.5672PC(P-16:0/16:0)1+718.5745718.0455717.56725
PC(P-16:0/16:0)C40H80NO7P718.0455717.5672PC(P-16:0/16:0)1+740.5565718.0455717.56727
PC(O-18:0/16:0)C42H86NO7P748.1148747.6142PC(O-18:0/16:0)1+748.6215748.1148747.61425
PC(O-18:0/16:0)C42H86NO7P748.1148747.6142PC(O-18:0/16:0)1+770.6034748.1148747.61426
PC(P-18:0/20:5)C46H82NO7P792.1264791.5829PC(P-18:0/20:5)1+792.5902792.1264791.58295
PC(P-18:0/20:5)C46H82NO7P792.1264791.5829PC(P-18:0/20:5)1+814.5721792.1264791.58297
PC(O-38:4);PC(P-38:3)aC46H86NO7P796.1582795.6142PC(O-38:4);PC(P-38:3)a1+796.6215796.1582795.61423
PC(O-38:4);PC(P-38:3)aC46H86NO7P796.1582795.6142PC(O-38:4);PC(P-38:3)a1+818.6034796.1582795.61425
PC(O-38:4);PC(P-38:3)bC46H86NO7P796.1582795.6142PC(O-38:4);PC(P-38:3)b1+796.6215796.1582795.61423
PC(O-38:4);PC(P-38:3)bC46H86NO7P796.1582795.6142PC(O-38:4);PC(P-38:3)b1+818.6034796.1582795.61425