MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002306
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002306
RECORD_TITLE: METHYL 4-METHYLENECYCLOHEXYL 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$NAME: METHYL 4-METHYLENECYCLOHEXYL KETONE
CH$NAME: 1-ACETYL-4-METHYLENECYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H14O
CH$EXACT_MASS: 138.10447
CH$SMILES: C=C(C1)CCC(C1)C(C)=O
CH$IUPAC: InChI=1S/C9H14O/c1-7-3-5-9(6-4-7)8(2)10/h9H,1,3-6H2,2H3
CH$LINK: INCHIKEY
FUVYWLRLHOAXFT-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$SPLASH: splash10-00dl-9100000000-30aae28114340971539a
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
41 17.27 173
43 56.89 569
53 9.61 96
55 15.23 152
67 21.4 214
68 24.48 245
71 99.99 999
72 4.9 49
77 5.52 55
79 13.08 131
80 7.7 77
93 6.83 68
94 9.72 97
95 42.59 426
96 3.79 38
123 15.19 152
138 38.64 386
139 4.09 41
//
system version 2.2.8-SNAPSHOT