ACCESSION: MSBNK-Keio_Univ-KO002554
RECORD_TITLE: Carbazole; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0674-9600000000-b9e5f8f30eba4f410838
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  42.600 14851.5 23
  45.100 638614.5 999
  56.200 202970.5 318
  61.000 202970.5 318
  62.100 24752.5 39
  66.900 49505.0 77
  73.800 69307.0 108
  75.800 59406.0 93
  78.900 39604.0 62
  79.300 19802.0 31
  80.900 108911.0 170
  85.700 44554.5 70
  86.400 89109.0 139
  89.100 311881.5 488
  91.300 232673.5 364
  91.700 217822.0 341
  93.800 64356.5 101
  95.400 14851.5 23
  100.000 19802.0 31
  102.900 49505.0 77
  103.800 69307.0 108
  104.900 74257.5 116
  106.700 24752.5 39
  108.800 84158.5 132
  109.200 227723.0 356
  114.300 29703.0 46
  122.700 29703.0 46
  123.300 69307.0 108
  133.400 14851.5 23
  136.200 311881.5 488
  167.000 351485.5 550
  168.300 485149.0 759
//