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MassBank Record: PT202550

3-IAA, Heteroauxin, Rhizopin, Indoleacetate, IAA, Indole-3-acetic acid, omega-Skatole carboxylic acid, 2-(1H-indol-3-yl)acetic acid, Rhizopon A, 3-Indoleacetic acid; LC-ESI-QTOF; MS2

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

ACCESSION: PT202550
RECORD_TITLE: 3-IAA, Heteroauxin, Rhizopin, Indoleacetate, IAA, Indole-3-acetic acid, omega-Skatole carboxylic acid, 2-(1H-indol-3-yl)acetic acid, Rhizopon A, 3-Indoleacetic 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$NAME: 3-IAA
CH$NAME: Heteroauxin
CH$NAME: Rhizopin
CH$NAME: Indoleacetate
CH$NAME: IAA
CH$NAME: Indole-3-acetic acid
CH$NAME: omega-Skatole carboxylic acid
CH$NAME: 2-(1H-indol-3-yl)acetic acid
CH$NAME: Rhizopon A
CH$NAME: 3-Indoleacetic acid
CH$COMPOUND_CLASS: CLASS1 Alkaloid CLASS2 Indole CLASS3 Indole
CH$FORMULA: C10H9NO2
CH$EXACT_MASS: 175.187
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)O
CH$IUPAC: InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
CH$LINK: CAS 87-51-4
CH$LINK: INCHIKEY SEOVTRFCIGRIMH-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 174.05553

PK$SPLASH: splash10-001i-0900000000-b735e95cb23091491c2e
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  128.0507 7.915 173
  130.0664 45.72 999
  143.8976 4.049 88
  174.0555 17.74 388
//

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