MassBank Record: MSBNK-RIKEN_ReSpect-PT210893
ACCESSION: MSBNK-RIKEN_ReSpect-PT210893
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$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$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$FOCUSED_ION: PRECURSOR_M/Z 144.04494
PK$SPLASH: splash10-014l-0900000000-d434c2e937c83d1ffd7c
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
65.9999 32.4 71
114.0352 66.0 146
115.0424 400.5 883
116.0507 90.91 200
117.0346 28.94 64
126.0344 110.5 244
142.0302 34.73 77
144.0449 453.0 999
//