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MassBank Record: KO003883

Pyridoxamine 5'-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003883
RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0002-0190000000-0eb0fd727d4bb1b2816f
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  73.900 69307.0 9
  92.800 14851.5 2
  99.300 103960.5 14
  105.200 59406.0 8
  121.300 247525.0 33
  123.100 49505.0 7
  126.900 34653.5 5
  128.800 277228.0 37
  137.800 44554.5 6
  142.900 74257.5 10
  148.500 24752.5 3
  151.200 188119.0 25
  153.100 59406.0 8
  156.700 94059.5 12
  161.400 19802.0 3
  169.000 39604.0 5
  170.300 34653.5 5
  176.700 19802.0 3
  185.000 24752.5 3
  186.900 143564.5 19
  189.000 346535.0 46
  204.800 64356.5 9
  217.400 1589110.5 211
  220.500 69307.0 9
  232.400 1242575.5 165
  234.900 138614.0 18
  249.400 7519809.5 999
//

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