MassBank Record: KO000682



 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) \n

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: 154.03950 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
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 //