MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001571
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001571
RECORD_TITLE: CARVEOL(EQUATRIAL); 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$NAME: CARVEOL(EQUATRIAL)
CH$NAME: 2-METHYL-5-(1-METHYLETHENYL)-2-CYCLOHEXENE-1-OL(EQUATRIAL)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: CC(=C)C(C1)CC(O)C(C)=C1
CH$IUPAC: InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3
CH$LINK: INCHIKEY
BAVONGHXFVOKBV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3024736
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-0a5c-9400000000-20e9d5aa724b146ecbe0
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
27 16.97 170
28 4.73 47
29 10.46 105
31 2.66 27
38 1.48 15
39 26.55 266
40 5.62 56
41 38.79 388
42 2.66 27
43 24.38 244
44 3.15 32
45 2.27 23
50 2.36 24
51 6.61 66
52 3.15 32
53 15.2 152
54 6.31 63
55 33.07 331
56 19.24 192
57 2.66 27
63 2.76 28
65 8.48 85
66 3.35 34
67 17.76 178
68 7.2 72
69 20.53 205
70 1.77 18
71 3.35 34
72 1.87 19
77 13.52 135
78 4.48 45
79 12.24 122
80 13.32 133
81 16.09 161
82 12.53 125
83 35.24 352
84 70.68 707
85 5.23 52
91 21.91 219
92 7.6 76
93 18.75 188
94 6.12 61
95 14.61 146
96 11.45 115
97 8.39 84
103 1.97 20
105 8.68 87
106 3.45 35
107 6.51 65
108 14.21 142
109 99.99 999
110 12.33 123
111 2.66 27
115 1.77 18
117 2.46 25
119 17.76 178
120 2.46 25
121 1.67 17
123 10.06 101
124 4.14 41
134 6.81 68
135 2.66 27
137 15.3 153
138 1.67 17
152 34.25 343
153 4.14 41
//