MassBank Record: KO003543

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N-Methylanthranilic 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: KO003543
RECORD_TITLE: N-Methylanthranilic 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 M127

CH$NAME: N-Methylanthranilate
CH$NAME: 2-(Methylamino)benzoic acid
CH$NAME: N-Methylanthranilic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H9NO2
CH$EXACT_MASS: 151.06333
CH$SMILES: CNc(c1)c(ccc1)C(O)=O
CH$IUPAC: InChI=1S/C8H9NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)
CH$LINK: CAS 119-68-6
CH$LINK: CHEBI 16394
CH$LINK: COMPTOX DTXSID6059491
CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N
CH$LINK: KEGG C03005
CH$LINK: NIKKAJI J5.315E
CH$LINK: PUBCHEM SID:5914

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$FOCUSED_ION: PRECURSOR_M/Z 152
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-9200000000-4af52e4cba799817b3ca
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  41.1 39604.0 1.0
  43.0 59406.0 2.0
  44.8 4064360.0 109.0
  54.9 44554.5 1.0
  57.1 99010.0 3.0
  59.1 4821790.0 129.0
  62.7 14851.5 1.0
  72.1 34653.5 1.0
  73.0 3.73169E7 999.0
  73.9 143564.0 4.0
  76.8 113862.0 3.0
  78.9 103960.0 3.0
  80.9 113862.0 3.0
  84.9 19802.0 1.0
  87.3 14851.5 1.0
  89.0 1.17277E7 314.0
  91.3 752476.0 20.0
  98.8 103960.0 3.0
  101.7 19802.0 1.0
  103.3 29703.0 1.0
  105.0 79208.0 2.0
  106.1 797030.0 21.0
  107.2 371288.0 10.0
  108.9 44554.5 1.0
  116.1 698020.0 19.0
  117.1 2188120.0 59.0
  119.9 59406.0 2.0
  131.8 24752.5 1.0
  133.9 1.02277E7 274.0
  135.1 4569310.0 122.0
  152.1 297030.0 8.0
//