ACCESSION: MSBNK-Keio_Univ-KO002553
RECORD_TITLE: Carbazole; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0f79-6900000000-a67fbf7a4377e88ed6ec
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  44.900 306931.0 118
  50.100 153465.5 59
  55.900 64356.5 25
  56.300 44554.5 17
  60.900 54455.5 21
  73.100 202970.5 78
  75.100 69307.0 27
  76.100 133663.5 51
  78.200 59406.0 23
  80.800 44554.5 17
  84.500 19802.0 8
  85.900 89109.0 34
  89.000 2603963.0 999
  91.100 168317.0 65
  92.000 143564.5 55
  96.400 29703.0 11
  101.000 59406.0 23
  102.200 148515.0 57
  104.100 509901.5 196
  105.200 113861.5 44
  106.800 173267.5 66
  109.300 792080.0 304
  114.100 163366.5 63
  119.100 74257.5 28
  122.000 14851.5 6
  123.000 232673.5 89
  133.000 722773.0 277
  136.000 574258.0 220
  150.300 267327.0 103
  151.100 856436.5 329
  167.300 29703.0 11
  168.300 1188120.0 456
//