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MassBank Record: KO002555

Carbazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO002555
RECORD_TITLE: Carbazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID C040

CH$NAME: Carbazole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H9N
CH$EXACT_MASS: 167.07350
CH$SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2
CH$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: KEGG C08060
CH$LINK: NIKKAJI J3.896B
CH$LINK: PUBCHEM SID:10260
CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4020248

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 168
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00kf-9400000000-997f1b12553eb140d577
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  30.700 19802.0 45
  44.900 435644.0 999
  55.100 59406.0 136
  56.100 84158.5 193
  58.200 29703.0 68
  61.100 207921.0 477
  65.200 19802.0 45
  67.000 39604.0 91
  69.200 49505.0 114
  72.700 34653.5 79
  77.200 79208.0 182
  79.000 29703.0 68
  81.100 74257.5 170
  85.400 19802.0 45
  86.200 29703.0 68
  90.900 183168.5 420
  91.900 89109.0 204
  94.100 64356.5 148
  105.100 69307.0 159
  109.100 153465.5 352
  136.200 29703.0 68
  167.200 336634.0 772
  167.400 148515.0 341
//

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