ACCESSION: UF016713
RECORD_TITLE: Carbazole; APCI-ITFT; MS2; CE: 150; 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$MASS_SPECTROMETRY: COLLISION_ENERGY 150 (nominal)
AC$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$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  75.0232 4440.7 4
  77.0389 14011.9 13
  87.0233 2374.9 2
  88.0185 2808.5 2
  88.0312 13732.3 13
  89.039 50821.6 49
  90.0468 24732.4 23
  91.0546 9136.6 8
  95.0496 3204 3
  96.0449 1832.3 1
  100.0312 1629.8 1
  102.0468 7932.8 7
  105.0452 4778.1 4
  113.0391 73483 71
  114.0343 3611.1 3
  114.0469 46195.3 44
  115.0547 144151.4 139
  116.0499 43377.6 42
  117.0578 16162.4 15
  118.0418 5526.7 5
  126.0469 12954.8 12
  127.0422 9568.1 9
  127.0548 1462.1 1
  128.05 37099.3 35
  129.0453 24479.8 23
  130.0404 1618.2 1
  132.0575 13725.3 13
  137.0391 1650.7 1
  138.047 9976.7 9
  139.0548 1030831.7 999
  140.05 554688.4 537
  141.0577 7217.1 6
  141.0703 3306 3
  146.0606 4399.5 4
  155.061 3720.7 3
  164.0502 30430.4 29
  165.058 33983.3 32
  166.0658 608355.5 589
  167.0736 82512.7 79
