ACCESSION: UF016714
RECORD_TITLE: Carbazole; APCI-ITFT; MS2; CE: 180; 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$MASS_SPECTROMETRY: COLLISION_ENERGY 180 (nominal)
AC$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$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  75.0232 18367.6 23
  77.0389 14313.6 18
  87.0233 26938.3 34
  88.0186 7753.9 9
  88.0312 34939.9 44
  89.039 156608.8 199
  90.0468 18496.3 23
  91.0546 6428.8 8
  95.0495 3024.7 3
  96.0448 2409.5 3
  100.0312 3147.2 4
  102.0469 10393.1 13
  105.0452 5695.5 7
  113.039 236826.1 301
  114.0343 24537.3 31
  114.0469 39922.1 50
  115.0547 132330.9 168
  116.0499 38000.9 48
  117.0577 6090.1 7
  118.0418 2785.8 3
  126.0469 20168.6 25
  127.0422 5808.1 7
  128.05 11446.8 14
  129.0452 21512.5 27
  130.0406 3112.6 3
  132.0575 9335.9 11
  137.0392 14680.7 18
  138.047 26555.4 33
  139.0548 786000.6 999
  140.05 409456.4 520
  164.0502 43418.8 55
  165.058 30794.7 39
  166.0658 117746.2 149
  167.0737 4556.4 5
