ACCESSION: UF023112
RECORD_TITLE: 1H-Indole, 2-methyl-; APCI-ITFT; MS2; CE: 120; R=60000; [M+H]+;  direct infusion
DATE: 2012.05.28
AUTHORS: Krauss M, Schulze T, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany
LICENSE: http://massbank.normandata.eu/MassBank/license.html
COPYRIGHT: Copyright (C) 2012
COMMENT: CONFIDENCE standard compound
COMMENT: WANA Internal ID 231
CH$NAME: 1H-Indole, 2-methyl-
CH$NAME: 2-methyl-1H-indole
CH$COMPOUND_CLASS: N/A; Environmental Standard
CH$FORMULA: C9H9N
CH$EXACT_MASS: 131.07350
CH$SMILES: CC1=CC2=CC=CC=C2N1
CH$IUPAC: InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3
CH$LINK: CAS 95-20-5
CH$LINK: PUBCHEM CID:7224
CH$LINK: INCHIKEY BHNHHSOHWZKFOX-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER 6954
AC$INSTRUMENT: LTQ Orbitrap XL Thermo Scientific
AC$INSTRUMENT_TYPE: APCI-ITFT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: IONIZATION APCI
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 120 (nominal)
AC$MASS_SPECTROMETRY: RESOLUTION 60000
AC$CHROMATOGRAPHY: COLUMN_NAME 
AC$CHROMATOGRAPHY: FLOW_GRADIENT 
AC$CHROMATOGRAPHY: FLOW_RATE 
AC$CHROMATOGRAPHY: RETENTION_TIME 2.2 min
AC$CHROMATOGRAPHY: SOLVENT A 
AC$CHROMATOGRAPHY: SOLVENT B 
MS$FOCUSED_ION: BASE_PEAK 132.08058
MS$FOCUSED_ION: PRECURSOR_M/Z 132.08078
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE RMassBank
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  77.0385 1636 7
  79.0542 2643.1 12
  89.0386 1522 7
  90.0463 9048.5 43
  91.0541 4612.3 22
  103.0541 1890.4 9
  105.0446 1418 6
  105.0697 21745.5 104
  115.054 2854.5 13
  117.0571 206974.7 999
  130.0649 5496.9 26
  131.0728 7861.8 37
  132.0806 23394.3 112
