MassBank Record: KO000706

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O-Phosphoethanolamine; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO000706
RECORD_TITLE: O-Phosphoethanolamine; LC-ESI-QQ; MS2; CE:30 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 E009

CH$NAME: Ethanolamine phosphate
CH$NAME: O-Phosphoethanolamine
CH$NAME: Phosphoethanolamine
CH$NAME: O-Phosphorylethanolamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H8NO4P
CH$EXACT_MASS: 141.01909
CH$SMILES: NCCOP(O)(O)=O
CH$IUPAC: InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
CH$LINK: CAS 1071-23-4
CH$LINK: CHEBI 17553
CH$LINK: KEGG C00346
CH$LINK: NIKKAJI J12.176B
CH$LINK: PUBCHEM SID:3639
CH$LINK: INCHIKEY SUHOOTKUPISOBE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5061453

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$FOCUSED_ION: PRECURSOR_M/Z 140
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-004i-9000000000-199d7ab7a4aeb040674e
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  78.900 35203005.5 999
  107.600 49505.0 1
  110.100 94059.5 3
//