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MassBank Record: KO003542

N-Methylanthranilic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003542
RECORD_TITLE: N-Methylanthranilic 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 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 10 V

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

PK$SPLASH: splash10-000i-0900000000-58f0b9bf6b644da4e99a
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  46.200 29703.0 1
  59.100 1074258.5 7
  72.800 6826739.5 43
  77.100 331683.5 2
  83.900 29703.0 1
  87.800 69307.0 1
  88.900 6841591.0 43
  91.300 113861.5 1
  91.500 44554.5 1
  93.000 44554.5 1
  98.700 94059.5 1
  102.000 74257.5 1
  105.700 49505.0 1
  106.800 99010.0 1
  107.300 54455.5 1
  115.900 84158.5 1
  117.200 6871294.0 44
  119.000 19802.0 1
  120.100 430693.5 3
  122.400 24752.5 1
  134.100 6500006.5 41
  135.100 157490256.5 999
  138.500 14851.5 1
  152.200 24762401.0 157
  152.900 89109.0 1
  165.300 19802.0 1
//

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