MassBank Record: KO000660



 O,O-Diethyl thiophosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000660
RECORD_TITLE: O,O-Diethyl thiophosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D113

CH$NAME: O, O-Diethyl thiophosphate CH$NAME: DETP CH$NAME: Diethylthiophosphoric acid CH$NAME: O,O-Diethyl thiophosphate CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H11O3PS CH$EXACT_MASS: 170.01665 CH$SMILES: CCOP(O)(=S)OCC CH$IUPAC: InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9) CH$LINK: CAS 5871-17-0 CH$LINK: KEGG C06607 CH$LINK: NIKKAJI J81.110F CH$LINK: PUBCHEM SID:8833
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 169 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0005-7900000000-eba2d541218620747842 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 58.800 34653.5 1 61.200 59406.0 1 63.000 39604.0 1 70.900 29703.0 1 78.800 425743.0 4 81.000 14851.5 1 84.700 19802.0 1 86.900 34653.5 1 94.100 128713.0 1 95.100 114678332.5 999 96.300 732674.0 6 109.000 14851.5 1 111.700 94059.5 1 124.900 648515.5 6 133.100 128713.0 1 139.800 846535.5 7 140.900 88039692.0 767 151.700 44554.5 1 168.600 2386141.0 21 169.200 41059447.0 358 //