ACCESSION: UF026313
RECORD_TITLE: Carbazole; APCI-ITFT; MS2; CE: 150; R=60000; [M+H]+;  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 263
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$MASS_SPECTROMETRY: COLLISION_ENERGY 150 (nominal)
AC$MASS_SPECTROMETRY: RESOLUTION 60000
AC$CHROMATOGRAPHY: COLUMN_NAME 
AC$CHROMATOGRAPHY: FLOW_GRADIENT 
AC$CHROMATOGRAPHY: FLOW_RATE 
AC$CHROMATOGRAPHY: RETENTION_TIME 0.6 min
AC$CHROMATOGRAPHY: SOLVENT A 
AC$CHROMATOGRAPHY: SOLVENT B 
MS$FOCUSED_ION: BASE_PEAK 168.08014
MS$FOCUSED_ION: PRECURSOR_M/Z 168.08078
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE RMassBank
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  63.023 2032.2 1
  75.0232 2641.5 2
  77.0389 13407.9 10
  88.0311 1574.4 1
  89.039 12826.6 9
  90.0468 7259.2 5
  91.0421 4628.6 3
  91.0546 12792.4 9
  102.0469 5215.4 3
  105.0452 6638.2 5
  113.0391 8592.3 6
  114.0469 17167.1 13
  115.0547 142676.9 109
  116.0499 9515.2 7
  117.0578 13589.2 10
  126.0468 3444.6 2
  127.0422 3684.9 2
  127.0548 2628.3 2
  128.05 55290 42
  129.0453 28454.7 21
  129.0579 5369.1 4
  130.0406 1983.1 1
  132.0575 4289.2 3
  139.0548 408144.9 312
  140.0501 152222.9 116
  140.0625 106418.9 81
  141.0578 11359.5 8
  141.0704 14521.9 11
  146.0607 7432 5
  153.058 2966.6 2
  164.0503 4352.1 3
  165.0581 10197 7
  166.0658 837239.1 642
  167.0735 1302720.8 999
  168.0813 19800.6 15
