MassBank Record: MSBNK-Keio_Univ-KO000087
ACCESSION: MSBNK-Keio_Univ-KO000087
RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQ; MS2; CE:40 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$LINK: PUBCHEM
SID:3847
CH$LINK: INCHIKEY
ALYNCZNDIQEVRV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6024466
AC$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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 136
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9000000000-7ae0035594587960bab7
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
58.900 14851.5 41
65.100 29703.0 81
92.300 366337.0 999
92.500 49505.0 135
//