MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002333
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002333
RECORD_TITLE: 6-ISOPROPYL-3-METHYL-2-METHYLENECYCLOHEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 6-ISOPROPYL-3-METHYL-2-METHYLENECYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H18O
CH$EXACT_MASS: 166.13577
CH$SMILES: CC(C)C(C1)C(=O)C(=C)C(C)C1
CH$IUPAC: InChI=1S/C11H18O/c1-7(2)10-6-5-8(3)9(4)11(10)12/h7-8,10H,4-6H2,1-3H3
CH$LINK: INCHIKEY
IRMRWAWQVBGNMC-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-3000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-05fr-9700000000-719c10d927fc370923c9
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
42 37.05 371
53 16.68 167
54 9.64 96
55 32.72 327
67 28.34 283
68 16.24 162
69 16.78 168
77 7.77 78
79 9.99 100
81 26.27 263
82 12.25 123
83 9.64 96
91 10.18 102
93 6.93 69
95 41.73 417
96 13.13 131
109 29.37 294
110 10.23 102
123 24.16 242
124 99.99 999
125 9.39 94
151 25.68 257
161 29.23 292
162 7.08 71
163 11.26 113
166 15.15 152
//