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MassBank Record: MSBNK-EPA-ENTACT_AGILENT000936

Carbazole; ESI-QTOF; MS2; CE: 40; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT000936
RECORD_TITLE: Carbazole; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Carbazole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H9N
CH$EXACT_MASS: 167.0734992945
CH$SMILES: C1=CC=CC2NC3=CC=CC=C3C=21
CH$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: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6854

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 166.0662228428
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014i-0900000000-98a5eb918455e5ad964e
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  49.008374 6.176271 61
  50.003623 1.251762 12
  64.019273 2.701164 26
  90.034923 4.609348 46
  113.039674 3.972915 39
  116.050573 6.337225 63
  117.058398 3.571269 35
  140.050573 14.127217 141
  164.050573 26.836775 268
  165.058398 34.68548 346
  166.066223 99.999998 999
//

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