MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006937
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006937
RECORD_TITLE: ELEMOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ELEMOL
CH$NAME: 4-ETHENYL-3-(1-METHYLETHENYL)-ALPHA,ALPHA,4-TRIMETHYLCYCLOHEXYLMETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H26O
CH$EXACT_MASS: 222.19837
CH$SMILES: C=CC(C)(C1)C([H])(C(C)=C)CC([H])(C1)C(C)(C)O
CH$IUPAC: InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m1/s1
CH$LINK: INCHIKEY
GFJIQNADMLPFOW-VNHYZAJKSA-N
CH$LINK: COMPTOX
DTXSID1052323
AC$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: splash10-052f-9400000000-2a2b8eb2d7a95cb7b5c3
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
27 8.3 83
29 10.79 108
31 10.8 108
39 14.32 143
40 3.23 32
41 40.27 403
42 3.12 31
43 39.02 390
44 1.04 10
45 2.31 23
51 2 20
52 1.55 16
53 18.15 182
54 2.19 22
55 23.54 235
56 1.67 17
57 3.69 37
59 99.99 999
60 2.8 28
65 5.53 55
66 2.51 25
67 27.36 274
68 20.53 205
69 20.62 206
70 2.62 26
71 17.51 175
72 1.32 13
77 12.51 125
78 2.71 27
79 23.83 238
80 13.83 138
81 31.96 320
82 10.77 108
83 6.16 62
84 3.92 39
85 1.65 17
91 15.4 154
92 9.01 90
93 55.55 556
94 16.89 169
95 22.41 224
96 7.73 77
97 1.72 17
105 14.22 142
106 3.33 33
107 31.38 314
108 12.65 127
109 14.54 145
110 2.13 21
111 1.1 11
119 13.4 134
120 3.86 39
121 26.72 267
122 7.62 76
123 9.99 100
124 1.51 15
133 8.7 87
134 4.92 49
135 21.71 217
136 8.53 85
137 2.13 21
147 7.42 74
148 3.28 33
149 10.83 108
150 1.25 13
161 35.88 359
162 9.26 93
163 10.01 100
164 3.97 40
175 1.86 19
189 13.6 136
190 1.81 18
204 9.59 96
205 1.46 15
//
system version 2.2.6-SNAPSHOT