MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005801
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005801
RECORD_TITLE: (S)-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$NAME: (S)-2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-ONE
CH$NAME: L-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$IUPAC: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1
CH$LINK: CAS
2244-16-8
CH$LINK: INCHIKEY
ULDHMXUKGWMISQ-VIFPVBQESA-N
CH$LINK: COMPTOX
DTXSID8020256
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$SPLASH: splash10-0a59-9200000000-b8485ca29dc163ef7386
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
51 1.37 14
52 3.9 39
53 1.66 17
54 10.29 103
55 37.45 375
56 3.65 37
58 12.54 125
63 1.27 13
65 4.05 41
66 1.5 15
67 6.3 63
68 1.74 17
69 3.87 39
77 6.38 64
78 1.62 16
79 9.35 94
80 4.4 44
81 2.25 23
82 99.99 999
83 5.36 54
91 8.12 81
92 4.89 49
93 25.63 256
94 5.72 57
95 3.72 37
105 2.64 26
106 13.23 132
107 16 160
108 29.94 299
109 3.77 38
117 0.9 9
119 1.03 10
121 1.58 16
122 1.51 15
135 3.04 30
150 10.11 101
151 1.02 10
//
system version 2.2.6-SNAPSHOT