MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006601
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006601
RECORD_TITLE: CARVONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: CARVONE
CH$NAME: 2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXENE-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O
CH$EXACT_MASS: 150.10447
CH$SMILES: CC(=C)C(C1)CC(=O)C(C)=C1
CH$IUPAC: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3
CH$LINK: INCHIKEY
ULDHMXUKGWMISQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8047426
AC$INSTRUMENT: HITACHI M-80B
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: splash10-0f8c-9100000000-64d2436851c170c3898a
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
26 1.11 11
27 15.78 158
29 2.92 29
38 1.76 18
39 38.33 383
40 5.02 50
41 24.18 242
42 2.44 24
43 1.48 15
50 2.67 27
51 7.53 75
52 3.32 33
53 19.62 196
54 44.88 449
55 4.17 42
58 8.8 88
63 1.65 17
65 5.26 53
66 2.13 21
67 8.82 88
68 2.05 21
69 2.74 27
77 8.27 83
78 1.81 18
79 12.59 126
80 4.44 44
81 2.56 26
82 99.99 999
83 5 50
91 9.63 96
92 3.54 35
93 25.92 259
94 4.89 49
95 2.46 25
105 1.72 17
106 10.72 107
107 15.63 156
108 26.86 269
109 2.75 28
121 1.13 11
122 1.23 12
135 2.16 22
150 6.41 64
//