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MassBank Record: KO003884

Pyridoxamine 5'-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO003884
RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQ; MS2; CE:20 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$NAME: Pyridoxamine 5'-phosphate
CH$NAME: Pyridoxamine 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$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 249
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-0590000000-2003e26a12279fef54dd
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  56.400 24752.5 8
  63.000 59406.0 19
  71.100 29703.0 9
  74.100 89109.0 28
  80.900 54455.5 17
  83.000 34653.5 11
  98.800 84158.5 27
  100.700 44554.5 14
  105.300 158416.0 51
  106.400 89109.0 28
  106.700 49505.0 16
  108.900 14851.5 5
  120.600 59406.0 19
  121.300 217822.0 70
  129.200 252475.5 81
  134.000 678218.5 217
  135.200 9901.0 3
  138.200 29703.0 9
  140.700 29703.0 9
  143.200 89109.0 28
  150.100 148515.0 47
  151.100 376238.0 120
  174.000 14851.5 5
  189.500 94059.5 30
  189.700 14851.5 5
  203.500 14851.5 5
  217.300 103960.5 33
  232.300 3123765.5 999
  249.400 544555.0 174
//

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