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MassBank Record: KO000450

Carbazole; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

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

ACCESSION: KO000450
RECORD_TITLE: Carbazole; LC-ESI-QQ; MS2; CE:50 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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 166
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-014i-0900000000-09a94e4635c7ccd85513
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  88.800 24752.5 10
  90.300 64356.5 25
  114.000 49505.0 19
  115.900 400990.5 157
  140.200 683169.0 267
  164.200 594060.0 232
  165.000 915842.5 357
  166.100 2559408.5 999
//

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