MassBank Record: KO000659



 O,O-Diethyl thiophosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000659
RECORD_TITLE: O,O-Diethyl thiophosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., 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$LINK: PUBCHEM SID:8833 CH$LINK: INCHIKEY PKUWKAXTAVNIJR-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 169 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0900000000-c8423ea1caef16b9a74e PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 58.800 34653.5 1 86.900 14851.5 1 88.600 24752.5 1 95.000 2658418.5 9 97.100 29703.0 1 125.100 386139.0 1 130.400 14851.5 1 133.000 396040.0 1 140.900 16193085.5 56 150.500 19802.0 1 168.600 20905961.5 72 169.100 289327022.0 999 //