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
//