MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007394
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007394
RECORD_TITLE: CARVOMENTHONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: CARVOMENTHONE
CH$NAME: 2-METHYL-5-(1-METHYLETHYL)CYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O
CH$EXACT_MASS: 154.13577
CH$SMILES: CC(C)C(C1)CC(=O)C(C)C1
CH$IUPAC: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-9H,4-6H2,1-3H3
CH$LINK: CAS
59471-80-6
CH$LINK: INCHIKEY
GCRTVIUGJCJVDD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90862053
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03di-6900000000-d86da6586d8aa7885a2c
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
55 28.36 284
56 4.04 40
69 10.14 101
70 2.83 28
71 1.2 12
72 2.53 25
81 2.18 22
82 6.55 66
83 16.89 169
84 5.43 54
95 8.84 88
96 6.4 64
97 11.37 114
98 1.65 17
110 11.94 119
111 99.99 999
112 10.37 104
125 2.92 29
126 2.47 25
154 26.74 267
155 3.04 30
//