MassBank Record: KO002120

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4-Aminobenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002120
RECORD_TITLE: 4-Aminobenzoic 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 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$LINK: COMPTOX DTXSID6024466
CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N
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: POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 138
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-6900000000-387d1a3c2d588c6f8552
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  43.1 59406.0 16.0
  45.1 99010.0 27.0
  59.0 282178.0 78.0
  61.2 54455.5 15.0
  64.7 44554.5 12.0
  67.1 277228.0 77.0
  76.9 306931.0 85.0
  79.8 84158.5 23.0
  90.9 79208.0 22.0
  92.1 316832.0 88.0
  93.6 163366.0 45.0
  94.2 821783.0 228.0
  94.9 59406.0 16.0
  119.9 222772.0 62.0
  121.3 3599010.0 999.0
  138.0 54455.5 15.0
//