MassBank Record: KO000085



 4-Aminobenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000085
RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQ; MS2; CE:20 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 A043

CH$NAME: p-Aminobenzoate CH$NAME: 4-Aminobenzoic acid CH$NAME: 4-Aminobenzoate CH$NAME: ABEE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H7NO2 CH$EXACT_MASS: 137.04768 CH$SMILES: Nc(c1)ccc(c1)C(O)=O CH$IUPAC: InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10) CH$LINK: CAS 150-13-0 CH$LINK: CHEBI 30753 CH$LINK: CHEMPDB PAB CH$LINK: KEGG C00568 CH$LINK: NIKKAJI J5.852A CH$LINK: PUBCHEM SID:3847
AC$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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 136 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9200000000-78f63538a3011f036551 PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 92.100 17004967.5 999 108.000 79208.0 5 108.500 39604.0 2 136.100 4257430.0 250 //