MassBank Record: MSBNK-Keio_Univ-KO001725
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
//