MassBank Record: MSBNK-Keio_Univ-KO002555
ACCESSION: MSBNK-Keio_Univ-KO002555
RECORD_TITLE: Carbazole; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 168
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00kf-9400000000-997f1b12553eb140d577
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
30.700 19802.0 45
44.900 435644.0 999
55.100 59406.0 136
56.100 84158.5 193
58.200 29703.0 68
61.100 207921.0 477
65.200 19802.0 45
67.000 39604.0 91
69.200 49505.0 114
72.700 34653.5 79
77.200 79208.0 182
79.000 29703.0 68
81.100 74257.5 170
85.400 19802.0 45
86.200 29703.0 68
90.900 183168.5 420
91.900 89109.0 204
94.100 64356.5 148
105.100 69307.0 159
109.100 153465.5 352
136.200 29703.0 68
167.200 336634.0 772
167.400 148515.0 341
//