MassBank Record: MSBNK-Keio_Univ-KO002753
ACCESSION: MSBNK-Keio_Univ-KO002753
RECORD_TITLE: 5,6-Dimethylbenzimidazol; 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 D087
CH$NAME: 5,6-Dimethylbenzimidazol
CH$NAME: Dimethylbenzimidazole
CH$NAME: 5,6-Dimethylbenzimidazole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10N2
CH$EXACT_MASS: 146.08440
CH$SMILES: CC1=CC2=C(C=C1C)N=CN2
CH$IUPAC: InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)
CH$LINK: CAS
582-60-5
CH$LINK: CHEBI
15890
CH$LINK: CHEMPDB DMD
CH$LINK: KEGG
C03114
CH$LINK: NIKKAJI
J69.209C
CH$LINK: PUBCHEM
SID:6009
CH$LINK: INCHIKEY
LJUQGASMPRMWIW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70870631
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 147
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000t-3900000000-0e438f149c15e3ba2238
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
56.300 316832.0 13
68.800 34653.5 1
71.200 14851.5 1
74.000 14851.5 1
77.100 297030.0 12
78.600 59406.0 2
79.300 252475.5 10
79.800 79208.0 3
83.400 29703.0 1
84.100 12331695.5 505
87.800 24752.5 1
91.000 465347.0 19
92.300 74257.5 3
93.000 712872.0 29
94.000 14851.5 1
102.000 34653.5 1
103.200 277228.0 11
103.800 173267.5 7
106.200 826733.5 34
116.900 39604.0 2
117.900 103960.5 4
119.100 94059.5 4
120.200 2500002.5 102
129.100 14851.5 1
130.200 435644.0 18
131.200 2985151.5 122
131.900 7267334.0 298
145.100 1321783.5 54
146.500 698020.5 29
147.000 24376262.0 999
//
system version 2.2.8-SNAPSHOT