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MassBank Record: KO009147

Pyridoxamine 5'-phosphate; LC-ESI-IT; MS4; m/z: 249/134/106; [M+H]+

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

ACCESSION: KO009147
RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-IT; MS4; m/z: 249/134/106; [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: [MS3] KO009146

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$MASS_SPECTROMETRY: MS_TYPE MS4
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70/0.70/0.50

MS$FOCUSED_ION: PRECURSOR_M/Z 249/134/106
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0a6r-8900000000-ca1063ae4acc797f6a0f
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  79.2 18.45 731
  94.9 3.22 128
  97.2 1.89 75
  106.0 25.22 999
//

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