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MassBank Record: PS004206

Anthranilic acid, o-Aminobenzoic Acid, Vitamin L1, 2-Carboxyaniline, 2-AA, 2-aminobenzoate; LC-ESI-QQ; MS2

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

ACCESSION: PS004206
RECORD_TITLE: Anthranilic acid, o-Aminobenzoic Acid, Vitamin L1, 2-Carboxyaniline, 2-AA, 2-aminobenzoate; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound Nacalai-T, 03109-52.
COMMENT: PRIMe compound in-house ID 42
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: Anthranilic acid
CH$NAME: o-Aminobenzoic Acid
CH$NAME: Vitamin L1
CH$NAME: 2-Carboxyaniline
CH$NAME: 2-AA
CH$NAME: 2-aminobenzoate
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Vitamin
CH$FORMULA: C7H7NO2
CH$EXACT_MASS: 137.138
CH$SMILES: C1=CC=C(C(=C1)C(=O)O)N
CH$IUPAC: InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
CH$LINK: CAS 118-92-3
CH$LINK: KEGG C00108
CH$LINK: PUBCHEM CID:227
CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8020094

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 138.11

PK$SPLASH: splash10-014i-9000000000-87027085d4fe35aaadec
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  38.0 9074.0 157
  39.0 16672.0 288
  64.0 2407.0 42
  65.0 57911.0 999
  92.0 18963.0 327
//

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