MassBank Record: KO001003



 Salicylic acid; 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: KO001003
RECORD_TITLE: Salicylic acid; 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 H020

CH$NAME: o-Hydroxybenzoate CH$NAME: Salicylate CH$NAME: o-Hydroxybenzoic acid CH$NAME: Salicylic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H6O3 CH$EXACT_MASS: 138.03169 CH$SMILES: OC(=O)c(c1)c(O)ccc1 CH$IUPAC: InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) CH$LINK: CAS 69-72-7 CH$LINK: CHEBI 16914 CH$LINK: CHEMPDB SAL CH$LINK: KEGG C00805 CH$LINK: NIKKAJI J2.370A CH$LINK: PUBCHEM SID:4063
AC$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$FOCUSED_ION: PRECURSOR_M/Z 137 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-0900000000-f1e71df6894bcc8dda74 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 44.800 64356.5 1 59.200 435644.0 1 72.700 34653.5 1 77.100 118812.0 1 79.100 24752.5 1 93.100 17217839.0 28 118.900 168317.0 1 137.100 616302596.5 999 //