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MassBank Record: KO001726

Pyridoxamine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO001726
RECORD_TITLE: Pyridoxamine; 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 P116

CH$NAME: Pyridoxamine
CH$NAME: PM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H12N2O2
CH$EXACT_MASS: 168.08988
CH$SMILES: OCc(c1)c(CN)c(O)c(C)n1
CH$IUPAC: InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
CH$LINK: CAS 85-87-0
CH$LINK: CHEBI 16410
CH$LINK: CHEMPDB PXM
CH$LINK: KEGG C00534
CH$LINK: NIKKAJI J3.891A
CH$LINK: PUBCHEM SID:3816
CH$LINK: INCHIKEY NHZMQXZHNVQTQA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6046929

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 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 167
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-014r-0900000000-f5aea0fa928eb266a79d
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  45.300 123762.5 7
  59.100 381188.5 21
  79.400 24752.5 1
  83.100 118812.0 7
  85.100 1267328.0 70
  92.000 113861.5 6
  94.300 14851.5 1
  102.300 14851.5 1
  106.700 123762.5 7
  108.100 1787130.5 99
  110.100 39604.0 2
  121.100 1920794.0 107
  121.900 4757430.5 264
  123.900 34653.5 2
  131.600 24752.5 1
  135.100 1633665.0 91
  137.000 6376244.0 354
  138.200 2856438.5 159
  147.000 1871289.0 104
  148.900 965347.5 54
  150.300 2900993.0 161
  151.000 420792.5 23
  165.300 371287.5 21
  167.200 17970315.0 999
//

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