MassBank MassBank Search Contents Download

MassBank Record: KO000681

Diethyl phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO000681
RECORD_TITLE: Diethyl phosphate; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-004i-9000000000-a80db507a9f92dc8e8dc
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  41.500 9901.0 1
  45.000 59406.0 1
  59.000 133663.5 1
  63.200 24752.5 1
  79.000 261252736.5 999
  96.300 89109.0 1
  97.000 2405943.0 9
  109.000 29703.0 1
  123.800 64356.5 1
  125.000 10772288.0 41
  137.000 59406.0 1
  138.000 14851.5 1
  153.300 227723.0 1
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze