MassBank Record: KO001152



 4-Hydroxy-3-methoxybenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001152
RECORD_TITLE: 4-Hydroxy-3-methoxybenzoic acid; LC-ESI-QQ; MS2; CE:30 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 H115

CH$NAME: 4-Hydroxy-3-methoxybenzoate CH$NAME: 4-Hydroxy-3-methoxybenzoic acid CH$NAME: Vanillate CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H8O4 CH$EXACT_MASS: 168.04226 CH$SMILES: COc(c1)c(O)ccc(C(O)=O)1 CH$IUPAC: InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) CH$LINK: CAS 121-34-6 CH$LINK: CHEBI 30816 CH$LINK: KEGG C06672 CH$LINK: NIKKAJI J5.337F CH$LINK: PUBCHEM SID:8897
AC$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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 167 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4l-5900000000-51df94e7bb7b909f6469 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 63.000 29703.0 10 65.200 282178.5 91 74.700 14851.5 5 80.200 34653.5 11 83.200 64356.5 21 91.000 1970299.0 635 94.200 9901.0 3 108.200 3099013.0 999 123.100 272277.5 88 150.700 29703.0 10 152.100 301980.5 97 //