ACCESSION: UF016712
RECORD_TITLE: Carbazole; APCI-ITFT; MS2; CE: 120; R=60000; [M]+;  direct infusion
DATE: 2012.05.29
AUTHORS: Gallampois C, 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 167
CH$NAME: Carbazole
CH$NAME: 9H-Carbazole
CH$NAME: 9H-carbazole
CH$COMPOUND_CLASS: N/A; Environmental Standard
CH$FORMULA: C12H9N
CH$EXACT_MASS: 167.0735
CH$SMILES: c1ccc2c(c1)c1ccccc1[nH]2
CH$IUPAC: InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
CH$LINK: CAS 86-74-8
CH$LINK: CHEBI 3391
CH$LINK: KEGG C08060
CH$LINK: PUBCHEM CID:6854
CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER 6593
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 0.9 min
AC$CHROMATOGRAPHY: SOLVENT A 
AC$CHROMATOGRAPHY: SOLVENT B 
MS$FOCUSED_ION: BASE_PEAK 168.08035
MS$FOCUSED_ION: PRECURSOR_M/Z 167.07295
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
MS$DATA_PROCESSING: WHOLE RMassBank
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  77.0389 4745.9 3
  89.039 3610.1 2
  90.0468 8488 6
  113.0391 5481 4
  114.0469 21009.3 15
  115.0547 71513.5 53
  116.05 10625.5 7
  116.0626 4191.6 3
  117.0578 16523.9 12
  118.0418 2668.6 1
  126.0469 3253 2
  127.0422 5166.1 3
  128.05 43569.2 32
  129.0453 6759.7 5
  132.0575 9048.3 6
  138.047 2337.3 1
  139.0548 658743.2 492
  140.0501 245985.5 183
  140.0625 141366.2 105
  141.0578 13693.2 10
  141.0704 9122.5 6
  146.0607 7433.5 5
  155.061 4206.6 3
  166.0658 1336159.6 999
  167.0736 675081.8 504
