MassBank Record: KO001637



 Pyridoxine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001637
RECORD_TITLE: Pyridoxine; 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 P053

CH$NAME: Pyridoxine CH$NAME: Pyridoxol CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H11NO3 CH$EXACT_MASS: 169.07389 CH$SMILES: OCc(c1)c(CO)c(O)c(C)n1 CH$IUPAC: InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 CH$LINK: CAS 65-23-6 CH$LINK: CHEBI 16709 CH$LINK: KEGG C00314 CH$LINK: NIKKAJI J2.356F CH$LINK: PUBCHEM SID:3608
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 168 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0udi-0900000000-486d6a4e5e1a731b7c54 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 79.800 64356.5 2 92.200 797030.5 26 94.000 99010.0 3 94.200 49505.0 2 107.100 821783.0 26 107.900 2945547.5 95 110.100 34653.5 1 120.000 381188.5 12 121.300 2420794.5 78 122.200 15059421.0 486 122.900 59406.0 2 132.100 89109.0 3 135.000 1311882.5 42 136.200 217822.0 7 138.100 6856442.5 221 147.800 277228.0 9 148.400 138614.0 4 150.100 30980229.0 999 152.900 44554.5 1 166.100 7900998.0 255 168.100 6732680.0 217 //