MassBank Record: KO002553

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Carbazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: 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: 167.0735
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: COMPTOX DTXSID4020248
CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N
CH$LINK: KEGG C08060
CH$LINK: NIKKAJI J3.896B
CH$LINK: PUBCHEM SID:10260

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.
  44.9 306931.0 118.0
  50.1 153466.0 59.0
  55.9 64356.5 25.0
  56.3 44554.5 17.0
  60.9 54455.5 21.0
  73.1 202970.0 78.0
  75.1 69307.0 27.0
  76.1 133664.0 51.0
  78.2 59406.0 23.0
  80.8 44554.5 17.0
  84.5 19802.0 8.0
  85.9 89109.0 34.0
  89.0 2603960.0 999.0
  91.1 168317.0 65.0
  92.0 143564.0 55.0
  96.4 29703.0 11.0
  101.0 59406.0 23.0
  102.2 148515.0 57.0
  104.1 509902.0 196.0
  105.2 113862.0 44.0
  106.8 173268.0 66.0
  109.3 792080.0 304.0
  114.1 163366.0 63.0
  119.1 74257.5 28.0
  122.0 14851.5 6.0
  123.0 232674.0 89.0
  133.0 722773.0 277.0
  136.0 574258.0 220.0
  150.3 267327.0 103.0
  151.1 856436.0 329.0
  167.3 29703.0 11.0
  168.3 1188120.0 456.0
//