MassBank Record: KO001722

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Pyridoxamine 5'-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: KO001722
RECORD_TITLE: Pyridoxamine 5'-phosphate; 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 P113

CH$NAME: Pyridoxamine phosphate
CH$NAME: Pyridoxamine 5-phosphate
CH$NAME: Pyridoxamine 5'-phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H13N2O5P
CH$EXACT_MASS: 248.056209999999992987795849330723285675048828125
CH$SMILES: NCc(c(O)1)c(cnc(C)1)COP(O)(O)=O
CH$IUPAC: InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
CH$LINK: CAS 529-96-4
CH$LINK: CHEBI 18335
CH$LINK: CHEMPDB PMP
CH$LINK: COMPTOX DTXSID3046825
CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N
CH$LINK: KEGG C00647
CH$LINK: NIKKAJI J11.364F
CH$LINK: PUBCHEM SID:3919

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$FOCUSED_ION: PRECURSOR_M/Z 247
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-004i-9300000000-695db8e4ce16577ae441
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  59.200 99010.0 33
  66.000 24752.5 8
  78.800 2985151.5 999
  79.800 34653.5 12
  85.100 59406.0 20
  97.300 816832.5 273
  103.400 59406.0 20
  113.100 64356.5 22
  119.300 39604.0 13
  121.200 876238.5 293
  121.900 9901.0 3
  136.300 9901.0 3
  150.200 544555.0 182
  164.900 94059.5 31
  211.800 79208.0 27
  230.100 34653.5 12
  230.400 44554.5 15
  247.300 44554.5 15
//