MassBank Record: MSBNK-Keio_Univ-KO002552
ACCESSION: MSBNK-Keio_Univ-KO002552
RECORD_TITLE: Carbazole; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 168
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-1900000000-8bc19b11f61d9a4a2b7b
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
50.100 1247526.0 110
64.000 158416.0 14
68.100 262376.5 23
73.300 64356.5 6
74.900 24752.5 2
76.200 292079.5 26
77.900 663367.0 58
82.300 668317.5 59
83.300 49505.0 4
86.800 9901.0 1
89.200 430693.5 38
90.300 39604.0 3
92.400 9901.0 1
95.100 14851.5 1
96.100 54455.5 5
100.100 84158.5 7
101.200 29703.0 3
104.300 118812.0 10
105.400 29703.0 3
108.300 396040.0 35
109.400 297030.0 26
110.500 19802.0 2
115.000 59406.0 5
118.200 44554.5 4
119.100 297030.0 26
123.300 143564.5 13
132.000 440594.5 39
133.100 470297.5 41
135.900 1143565.5 100
150.200 2851488.0 250
151.200 11381199.5 999
168.200 4356440.0 382
//
system version 2.2.6-SNAPSHOT