ACCESSION: UF026314
RECORD_TITLE: Carbazole; APCI-ITFT; MS2; CE: 180; 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$MASS_SPECTROMETRY: COLLISION_ENERGY 180 (nominal)
AC$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$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  63.0231 7938.1 10
  75.0232 11438.6 14
  77.0389 26588.1 34
  88.0312 10730.1 13
  89.039 69054.7 89
  90.0468 18359 23
  91.042 3172.6 4
  91.0546 14433.1 18
  102.0469 19411.3 25
  105.0452 8220.7 10
  113.0391 54570.6 70
  114.0469 38557.4 50
  115.0547 193917.1 251
  116.0499 30309.3 39
  117.0578 18359.2 23
  126.0469 13201.4 17
  127.0422 8848.7 11
  127.0548 1644.7 2
  128.05 43026.1 55
  129.0453 32793.6 42
  129.0578 3404.2 4
  130.0405 4398.4 5
  132.0575 12125.7 15
  139.0548 769012.6 999
  140.05 372382.3 483
  140.0625 60129.6 78
  141.0578 10128.9 13
  141.0704 6607.9 8
  146.0606 5559.8 7
  164.0503 18885.3 24
  165.0581 20698.8 26
  166.0658 682063.9 886
  167.0736 357842.9 464
  170.0608 1110.3 1
