ACCESSION: MSBNK-Keio_Univ-KO000663
RECORD_TITLE: O,O-Diethyl thiophosphate; LC-ESI-QQ; MS2; CE:50 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$LINK: PUBCHEM SID:8833
CH$LINK: INCHIKEY PKUWKAXTAVNIJR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9052844

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 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 169
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0002-9000000000-0a0320defdca903d57dd
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  33.000 163366.5 3
  43.300 39604.0 1
  45.300 24752.5 1
  60.900 24752.5 1
  61.400 19802.0 1
  63.000 11955457.5 226
  78.800 3480201.5 66
  93.800 59406.0 1
  95.100 52846587.5 999
  96.000 1123763.5 21
//