MassBank Record: KO001576



 Pyridoxal; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001576
RECORD_TITLE: Pyridoxal; 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 P014

CH$NAME: Pyridoxal CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H9NO3 CH$EXACT_MASS: 167.05824 CH$SMILES: OCc(c1)c(C=O)c(O)c(C)n1 CH$IUPAC: InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3 CH$LINK: CAS 66-72-8 CH$LINK: CHEBI 17310 CH$LINK: CHEMPDB PXL CH$LINK: KEGG C00250 CH$LINK: NIKKAJI J2.361B CH$LINK: PUBCHEM SID:3549
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 166 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0900000000-c49b207cafcf1c21302d PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 107.700 49505.0 2 122.300 54455.5 3 129.800 1103961.5 51 132.800 54455.5 3 135.700 297030.0 14 137.800 1846536.5 86 150.200 24752.5 1 163.900 74257.5 3 166.300 21564378.0 999 //