MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005802
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005802
RECORD_TITLE: (R)-2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: (R)-2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-ONE
CH$NAME: D-CARVONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O
CH$EXACT_MASS: 150.10447
CH$SMILES: CC(=C)C([H])(C1)CC(=O)C(C)=C([H])1
CH$IUPAC: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1
CH$LINK: INCHIKEY
ULDHMXUKGWMISQ-SECBINFHSA-N
CH$LINK: COMPTOX
DTXSID7041413
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-0a59-9300000000-0663a3956cbefc28418a
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
51 2.06 21
52 4.53 45
53 2.36 24
54 10.69 107
55 38.95 390
56 4.22 42
58 10.96 110
63 1.35 14
65 4.88 49
66 1.68 17
67 7.27 73
68 1.7 17
69 3.77 38
77 6.92 69
78 2.08 21
79 9.39 94
80 5.08 51
81 2.86 29
82 99.99 999
83 5.64 56
91 8.89 89
92 4.22 42
93 28.69 287
94 6.3 63
95 3.79 38
105 2.86 29
106 13.32 133
107 16.39 164
108 31.21 312
109 5.74 57
117 0.88 9
119 1.66 17
120 1 10
121 1.48 15
122 2.49 25
132 0.98 10
135 3.74 37
150 9.88 99
151 1.68 17
//