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MassBank Record: KO003545

N-Methylanthranilic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003545
RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-002f-9000000000-3fd6fff4fa77ebb11506
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  30.900 14851.5 3
  41.000 118812.0 23
  43.000 29703.0 6
  44.900 5207926.0 999
  54.900 39604.0 8
  59.300 613862.0 118
  65.000 188119.0 36
  73.000 376238.0 72
  77.000 2960399.0 568
  78.200 346535.0 66
  79.100 1158417.0 222
  80.200 14851.5 3
  88.900 455446.0 87
  91.000 1292080.5 248
  91.900 39604.0 8
  95.000 198020.0 38
  104.300 29703.0 6
  104.900 94059.5 18
  106.100 475248.0 91
  116.200 475248.0 91
  131.600 19802.0 4
//

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