ACCESSION: MSBNK-Keio_Univ-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$LINK: KEGG C03005
CH$LINK: NIKKAJI J5.315E
CH$LINK: PUBCHEM SID:5914
CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6059491

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.
  41.100 39604.0 1
  43.000 59406.0 2
  44.800 4064360.5 109
  54.900 44554.5 1
  57.100 99010.0 3
  59.100 4821787.0 129
  62.700 14851.5 1
  72.100 34653.5 1
  73.000 37316869.0 999
  73.900 143564.5 4
  76.800 113861.5 3
  78.900 103960.5 3
  80.900 113861.5 3
  84.900 19802.0 1
  87.300 14851.5 1
  89.000 11727734.5 314
  91.300 752476.0 20
  98.800 103960.5 3
  101.700 19802.0 1
  103.300 29703.0 1
  105.000 79208.0 2
  106.100 797030.5 21
  107.200 371287.5 10
  108.900 44554.5 1
  116.100 698020.5 19
  117.100 2188121.0 59
  119.900 59406.0 2
  131.800 24752.5 1
  133.900 10227733.0 274
  135.100 4569311.5 122
  152.100 297030.0 8
//