MassBank Record: KO001639



 Pyridoxine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001639
RECORD_TITLE: Pyridoxine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 168 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0ab9-1900000000-3298adf6db36689d5d43 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 39.200 19802.0 5 50.900 34653.5 9 66.000 69307.0 18 78.700 237624.0 61 80.100 237624.0 61 81.100 19802.0 5 89.900 14851.5 4 92.300 613862.0 159 93.300 59406.0 15 94.300 163366.5 42 95.800 64356.5 17 106.300 188119.0 49 106.900 2658418.5 687 108.000 3866340.5 999 120.100 376238.0 97 120.900 1940596.0 501 122.300 2024754.5 523 123.000 39604.0 10 135.100 99010.0 26 135.800 99010.0 26 138.100 287129.0 74 149.400 19802.0 5 165.800 19802.0 5 //