MassBank Record: KO000661



 O,O-Diethyl thiophosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000661
RECORD_TITLE: O,O-Diethyl thiophosphate; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 169 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9000000000-ae31cece541b8a3affdd PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 33.100 143564.5 1 58.800 24752.5 1 61.100 74257.5 1 63.100 1133664.5 8 78.800 1737625.5 12 89.100 39604.0 1 93.900 113861.5 1 95.000 146059552.0 999 95.900 6222778.5 43 111.900 415842.0 3 113.300 59406.0 1 125.100 59406.0 1 139.200 59406.0 1 140.200 717822.5 5 141.100 7049512.0 48 169.200 653466.0 4 //