ACCESSION: UF023113
RECORD_TITLE: 1H-Indole, 2-methyl-; APCI-ITFT; MS2; CE: 150; 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 150 (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: 11
PK$PEAK: m/z int. rel.int.
  77.0386 2002.4 16
  79.0542 2436.7 19
  89.0386 13840.6 113
  90.0464 38104.6 312
  91.0542 1810.2 14
  95.0491 2895.2 23
  103.0541 4856.6 39
  105.0698 5631 46
  117.0572 121855.7 999
  130.065 8444.8 69
  131.0729 3024.6 24
