MassBank Record: MSBNK-Keio_Univ-KO001727
ACCESSION: MSBNK-Keio_Univ-KO001727
RECORD_TITLE: Pyridoxamine; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 167
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-0900000000-c7a2dec0f7555dcc5ef7
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
41.300 29703.0 4
45.000 108911.0 13
59.200 336634.0 42
72.700 49505.0 6
77.100 29703.0 4
78.700 29703.0 4
79.200 49505.0 6
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81.000 24752.5 3
83.200 89109.0 11
85.400 386139.0 48
92.100 391089.5 48
92.400 89109.0 11
93.400 54455.5 7
93.900 108911.0 13
96.000 24752.5 3
103.900 29703.0 4
105.800 39604.0 5
107.300 727723.5 90
108.000 4985153.5 615
109.800 44554.5 5
119.100 54455.5 7
120.400 222772.5 27
121.100 8099018.0 999
122.200 4920797.0 607
131.800 49505.0 6
132.700 262376.5 32
133.900 14851.5 2
135.100 1410892.5 174
136.200 74257.5 9
137.300 1722774.0 213
138.200 935644.5 115
147.200 1529704.5 189
148.300 49505.0 6
148.900 183168.5 23
150.200 1168318.0 144
150.700 163366.5 20
165.200 84158.5 10
167.200 475248.0 59
//