ACCESSION: MSBNK-RIKEN_ReSpect-PT200913
RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 3-Formylindole, 1H-indole-3-carbaldehyde, Indole-3-carboxaldehyde , Indole-3-carboxyaldehyde; 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$NAME: Indole-3-aldehyde
CH$NAME: beta-Indolylaldehyde
CH$NAME: 3-Formylindole
CH$NAME: 1H-indole-3-carbaldehyde
CH$NAME: Indole-3-carboxaldehyde
CH$NAME: Indole-3-carboxyaldehyde
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 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 144.04496

PK$SPLASH: splash10-014l-0900000000-c9a64e9031a8d467a02b
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  65.9998 9.221 75
  114.0349 18.51 151
  115.042 114.7 935
  116.0507 26.71 218
  117.0346 6.507 53
  126.0354 35.91 293
  142.0314 11.42 93
  144.045 122.5 999
//