MassBank Record: MSBNK-Keio_Univ-KO002118
ACCESSION: MSBNK-Keio_Univ-KO002118
RECORD_TITLE: 4-Aminobenzoic 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 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$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 138
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-3900000000-d67f9d252f758529a83c
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
55.400 24752.5 1
58.900 113861.5 5
61.000 178218.0 8
74.100 39604.0 2
76.100 69307.0 3
78.000 9232682.5 425
80.200 193069.5 9
83.300 34653.5 2
84.900 19802.0 1
88.200 108911.0 5
89.000 371287.5 17
94.200 74257.5 3
102.900 371287.5 17
105.000 69307.0 3
106.100 321782.5 15
120.100 386139.0 18
121.000 21678239.5 999
138.000 2094061.5 97
//