MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002308
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002308
RECORD_TITLE: METHYL 4-METHYL-3-CYCLOHEXENYL KETONE; 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$NAME: METHYL 4-METHYL-3-CYCLOHEXENYL KETONE
CH$NAME: 4-ACETYL-1-METHYLCYCLOHEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H14O
CH$EXACT_MASS: 138.10447
CH$SMILES: CC(C1)=CCC(C1)C(C)=O
CH$IUPAC: InChI=1S/C9H14O/c1-7-3-5-9(6-4-7)8(2)10/h3,9H,4-6H2,1-2H3
CH$LINK: INCHIKEY
HOBBEYSRFFJETF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20867915
AC$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: splash10-000g-9200000000-c7a992e3f2edf78ecf36
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
41 21.41 214
43 92.15 922
45 5.76 58
51 5.08 51
53 13.83 138
55 29.09 291
65 5.56 56
67 43.87 439
68 13.99 140
71 4.21 42
77 14.87 149
78 3.04 30
79 24.69 247
80 16.08 161
81 11.62 116
91 9.25 93
92 3.06 31
93 20.07 201
94 16.4 164
95 99.99 999
96 8.48 85
105 13.39 134
109 4.99 50
123 44.35 444
124 4.01 40
138 75.66 757
139 7.99 80
//
system version 2.2.8-SNAPSHOT