MassBank Record: KO002119

Home Search Record Index Data Privacy Imprint

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)

ACCESSION: KO002119
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$EXACT_MASS: 137.0476800000000139334588311612606048583984375
CH$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 20 V

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

PK$SPLASH: splash10-00di-1900000000-e4d34d9516fe889137f6
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  45.100 69307.0 7
  57.000 19802.0 2
  59.200 683169.0 74
  60.700 24752.5 3
  61.000 207921.0 22
  77.200 123762.5 13
  80.100 138614.0 15
  85.000 19802.0 2
  89.200 371287.5 40
  91.300 39604.0 4
  91.900 29703.0 3
  93.000 212871.5 23
  94.200 306931.0 33
  102.900 163366.5 18
  120.000 678218.5 73
  121.300 9282187.5 999
  122.400 24752.5 3
  137.900 222772.5 24
//