ACCESSION: MSBNK-Keio_Univ-KO002552
RECORD_TITLE: Carbazole; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0udi-1900000000-8bc19b11f61d9a4a2b7b
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  50.100 1247526.0 110
  64.000 158416.0 14
  68.100 262376.5 23
  73.300 64356.5 6
  74.900 24752.5 2
  76.200 292079.5 26
  77.900 663367.0 58
  82.300 668317.5 59
  83.300 49505.0 4
  86.800 9901.0 1
  89.200 430693.5 38
  90.300 39604.0 3
  92.400 9901.0 1
  95.100 14851.5 1
  96.100 54455.5 5
  100.100 84158.5 7
  101.200 29703.0 3
  104.300 118812.0 10
  105.400 29703.0 3
  108.300 396040.0 35
  109.400 297030.0 26
  110.500 19802.0 2
  115.000 59406.0 5
  118.200 44554.5 4
  119.100 297030.0 26
  123.300 143564.5 13
  132.000 440594.5 39
  133.100 470297.5 41
  135.900 1143565.5 100
  150.200 2851488.0 250
  151.200 11381199.5 999
  168.200 4356440.0 382
//