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MassBank Record: KO009146

Pyridoxamine 5'-phosphate; LC-ESI-IT; MS3; m/z: 249/134; [M+H]+

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

ACCESSION: KO009146
RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-IT; MS3; m/z: 249/134; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P113
COMMENT: [MS2] KO009143

CH$NAME: Pyridoxamine 5'-phospate
CH$NAME: Pyridoxamine phosphate
CH$NAME: Pyridoxamine 5-phosphate
CH$NAME: Pyridoxamine 5'-phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H13N2O5P
CH$EXACT_MASS: 248.05621
CH$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$LINK: KEGG C00647
CH$LINK: NIKKAJI J11.364F
CH$LINK: PUBCHEM SID:3919
CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3046825

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70/0.60

MS$FOCUSED_ION: PRECURSOR_M/Z 249/134
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0a4i-3900000000-3e0d324cd4762276680f
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  65.2 18.35 103
  69.2 3.07 17
  79.2 62.20 348
  80.2 2.54 14
  89.2 15.66 88
  93.1 4.79 27
  95.0 1.61 9
  95.9 12.23 68
  105.1 5.21 29
  106.1 178.75 999
  107.1 6.69 37
  134.1 88.97 497
  135.1 19.12 107
  151.9 4.38 24
  187.0 2.23 12
//

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