MassBank Record: KO000682

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Diethyl phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO000682
RECORD_TITLE: Diethyl phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D141

CH$NAME: Diethyl phosphate
CH$NAME: O,O-Diethylphosphoric acid
CH$NAME: Diethylphosphoric acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H11O4P
CH$EXACT_MASS: 154.039500000000003865352482534945011138916015625
CH$SMILES: CCOP(O)(=O)OCC
CH$IUPAC: InChI=1S/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)
CH$LINK: CAS 598-02-7
CH$LINK: COMPTOX DTXSID1044699
CH$LINK: INCHIKEY UCQFCFPECQILOL-UHFFFAOYSA-N
CH$LINK: KEGG C06608
CH$LINK: NIKKAJI J1.649G
CH$LINK: PUBCHEM SID:8834

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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 153
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-004i-9000000000-74ebac8f0ccd57c6cf36
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  43.200 108911.0 1
  45.100 173267.5 1
  59.000 29703.0 1
  62.800 79208.0 1
  77.900 133663.5 1
  79.000 205757631.5 999
  80.100 74257.5 1
  93.900 69307.0 1
  95.800 74257.5 1
  97.000 950496.0 5
  125.200 287129.0 1
  137.400 79208.0 1
//