MassBank Record: MSBNK-Keio_Univ-KO001002
ACCESSION: MSBNK-Keio_Univ-KO001002
RECORD_TITLE: m-Hydroxybenzoic acid; 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 H019
CH$NAME: m-Hydroxybenzoate
CH$NAME: 3-Hydroxybenzoate
CH$NAME: m-Hydroxybenzoic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H6O3
CH$EXACT_MASS: 138.03169
CH$SMILES: OC(=O)c(c1)cc(O)cc1
CH$IUPAC: InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
CH$LINK: CAS
99-06-9
CH$LINK: CHEBI
30764
CH$LINK: CHEMPDB 3HB
CH$LINK: KEGG
C00587
CH$LINK: NIKKAJI
J43.202D
CH$LINK: PUBCHEM
SID:3866
CH$LINK: INCHIKEY
IJFXRHURBJZNAO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6021610
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 137
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9000000000-939e8bb535cf95146346
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
41.800 19802.0 999
//