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MassBank Record: PT110890

Indole-3-aldehyde, beta-Indolylaldehyde, 1H-indole-3-carbaldehyde, 3-Formylindole, Indole-3-carboxaldehyde , Indole-3-carbaldehyde; LC-ESI-QTOF; MS2

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

ACCESSION: PT110890
RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 1H-indole-3-carbaldehyde, 3-Formylindole, Indole-3-carboxaldehyde , Indole-3-carbaldehyde; LC-ESI-QTOF; MS2
DATE: 2008.09.29
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$NAME: Indole-3-aldehyde
CH$NAME: beta-Indolylaldehyde
CH$NAME: 1H-indole-3-carbaldehyde
CH$NAME: 3-Formylindole
CH$NAME: Indole-3-carboxaldehyde
CH$NAME: Indole-3-carbaldehyde
CH$COMPOUND_CLASS: CLASS1 Alkaloid CLASS2 Indole CLASS3 Indole
CH$FORMULA: C9H7NO
CH$EXACT_MASS: 145.161
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C=O
CH$IUPAC: InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
CH$LINK: CAS 487-89-8
CH$LINK: INCHIKEY OLNJUISKUQQNIM-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 POSITIVE
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 146.06058

PK$SPLASH: splash10-014i-2900000000-94ec8ba0db56440ffc3f
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  91.0563 1745.0 478
  117.0593 618.4 169
  118.0656 3647.0 999
  146.0606 1277.0 350
//

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