ACCESSION: MSBNK-Keio_Univ-KO001725
RECORD_TITLE: Pyridoxamine; 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 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 10 V

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

PK$SPLASH: splash10-014i-0900000000-f1da14360063a04c11b4
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  44.800 79208.0 1
  59.000 386139.0 6
  72.600 19802.0 1
  74.600 9901.0 1
  78.900 54455.5 1
  85.200 935644.5 15
  93.200 64356.5 1
  105.400 39604.0 1
  106.800 34653.5 1
  120.700 113861.5 2
  121.500 54455.5 1
  122.200 118812.0 2
  123.600 39604.0 1
  131.000 54455.5 1
  133.900 24752.5 1
  137.300 207921.0 3
  138.300 49505.0 1
  146.800 84158.5 1
  150.300 217822.0 3
  150.500 34653.5 1
  166.000 34653.5 1
  167.200 62772340.0 999
//