MassBank Record: PR100842



 O-Phosphoethanolamine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR100842
RECORD_TITLE: O-Phosphoethanolamine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
DATE: 2016.01.19 (2010.06.21, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: O-Phosphorylethanolamine CH$NAME: Ethanolamine phospha CH$NAME: 2-Aminoethyl Dihydrogenphosphate CH$NAME: O-Phosphoethanolamine CH$NAME: Colaminephosphoric acid CH$NAME: Colamine phosphate CH$COMPOUND_CLASS: Phosphoethanolamines CH$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$LINK: CHEMSPIDER 990 CH$LINK: KAPPAVIEW KPC00894 CH$LINK: KEGG C00346 CH$LINK: PUBCHEM CID:1015 CH$LINK: INCHIKEY SUHOOTKUPISOBE-UHFFFAOYSA-N
AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V AC$MASS_SPECTROMETRY: DATAFORMAT Continuum AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V AC$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 140.01129 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9100000000-b582c6b51602884756da PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 78.9599 211.4 999 140.0113 26.07 123 //