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MassBank Record: MSBNK-RIKEN_ReSpect-PT200420

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

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT200420
RECORD_TITLE: Anthranilic acid, o-Aminobenzoic Acid, Vitamin L1, 2-Carboxyaniline, 2-AA, 2-aminobenzoate, 2-aminobenzoic acid; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

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$NAME: 2-aminobenzoic acid
CH$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: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 136.03988

PK$SPLASH: splash10-0006-9300000000-9bbb2f00817538e072d5
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  92.0509 232.0 999
  136.0399 78.76 339
//

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