MassBank Record: MSBNK-Keio_Univ-KO000450
ACCESSION: MSBNK-Keio_Univ-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
//