MassBank Record: KO001640



 Pyridoxine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001640
RECORD_TITLE: Pyridoxine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 168 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a6r-7900000000-6711954ee96f08344434 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 39.800 29703.0 37 45.700 9901.0 12 51.000 59406.0 75 65.000 138614.0 175 66.900 24752.5 31 77.900 49505.0 62 79.300 792080.0 999 80.300 143564.5 181 92.000 74257.5 94 92.400 19802.0 25 93.300 24752.5 31 93.900 54455.5 69 106.200 163366.5 206 107.200 559406.5 706 107.800 519802.5 656 121.300 346535.0 437 121.900 202970.5 256 //