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MassBank Record: KO000680

Diethyl phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO000680
RECORD_TITLE: Diethyl phosphate; LC-ESI-QQ; MS2; CE:20 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: 154.03950
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: KEGG C06608
CH$LINK: NIKKAJI J1.649G
CH$LINK: PUBCHEM SID:8834
CH$LINK: INCHIKEY UCQFCFPECQILOL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1044699

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

PK$SPLASH: splash10-004i-9800000000-a7c39957412f58baa3dc
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  59.000 262376.5 1
  78.100 193069.5 1
  78.900 195109106.0 999
  92.700 39604.0 1
  97.100 1539605.5 8
  109.300 54455.5 1
  123.300 44554.5 1
  124.200 217822.0 1
  125.000 160559566.5 822
  138.100 24752.5 1
  152.900 28608939.5 146
//

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