MassBank Record: MSBNK-Keio_Univ-KO001729
ACCESSION: MSBNK-Keio_Univ-KO001729
RECORD_TITLE: Pyridoxamine; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 167
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0ab9-2900000000-da43b1a049d349d91831
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
50.700 29703.0 67
59.200 99010.0 222
66.100 34653.5 78
67.400 24752.5 56
77.000 14851.5 33
78.700 54455.5 122
79.300 34653.5 78
80.000 103960.5 233
89.000 99010.0 222
92.500 34653.5 78
93.300 39604.0 89
104.100 34653.5 78
106.800 445545.0 999
108.100 410891.5 921
118.500 14851.5 33
119.500 24752.5 56
120.900 410891.5 921
122.200 287129.0 644
132.000 29703.0 67
133.200 44554.5 100
134.900 34653.5 78
146.100 44554.5 100
147.000 24752.5 56
150.300 99010.0 222
//