MassBank Record: MSBNK-Keio_Univ-KO002554
ACCESSION: MSBNK-Keio_Univ-KO002554
RECORD_TITLE: Carbazole; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 168
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0674-9600000000-b9e5f8f30eba4f410838
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
42.600 14851.5 23
45.100 638614.5 999
56.200 202970.5 318
61.000 202970.5 318
62.100 24752.5 39
66.900 49505.0 77
73.800 69307.0 108
75.800 59406.0 93
78.900 39604.0 62
79.300 19802.0 31
80.900 108911.0 170
85.700 44554.5 70
86.400 89109.0 139
89.100 311881.5 488
91.300 232673.5 364
91.700 217822.0 341
93.800 64356.5 101
95.400 14851.5 23
100.000 19802.0 31
102.900 49505.0 77
103.800 69307.0 108
104.900 74257.5 116
106.700 24752.5 39
108.800 84158.5 132
109.200 227723.0 356
114.300 29703.0 46
122.700 29703.0 46
123.300 69307.0 108
133.400 14851.5 23
136.200 311881.5 488
167.000 351485.5 550
168.300 485149.0 759
//