MassBank Record: MSBNK-Keio_Univ-KO002556
ACCESSION: MSBNK-Keio_Univ-KO002556
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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 168
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-016u-9500000000-439210ff3228097f7d4d
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
44.900 113861.5 999
61.000 69307.0 608
65.000 59406.0 521
68.900 9901.0 87
76.900 59406.0 521
78.700 39604.0 347
91.900 54455.5 478
106.800 19802.0 174
109.200 34653.5 304
136.000 34653.5 304
138.700 44554.5 391
166.300 113861.5 999
//
system version 2.2.6-SNAPSHOT