MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005798
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005798
RECORD_TITLE: (1R-(1ALPHA,2BETA,5ALPHA))-5-METHYL-2-(1-M; 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$NAME: (1R-(1ALPHA,2BETA,5ALPHA))-5-METHYL-2-(1-M
CH$NAME: ETHYLETHENYL)CYCLOHEXANOLISO-PULEGOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O
CH$EXACT_MASS: 154.13577
CH$SMILES: CC(=C)C([H])(C1)C([H])(O)CC([H])(C)C1
CH$IUPAC: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1
CH$LINK: CAS
89-79-2
CH$LINK: INCHIKEY
ZYTMANIQRDEHIO-KXUCPTDWSA-N
CH$LINK: COMPTOX
DTXSID90110001
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$SPLASH: splash10-06di-9200000000-2ce50fb75d3deb9eb8e7
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
51 1.7 17
52 10.22 102
53 5.56 56
54 38.71 387
55 8.83 88
56 88.46 885
57 62.7 627
58 4.71 47
63 2.49 25
64 1.05 11
65 10.87 109
66 5.9 59
67 80.68 807
68 90.59 906
69 98.43 984
70 26.27 263
71 89.06 891
72 9.71 97
73 2.32 23
77 24.05 241
78 4.6 46
79 60.15 602
80 30.78 308
81 99.99 999
82 20.7 207
83 36.52 365
84 59.95 600
85 17.09 171
86 2.1 21
91 20.93 209
92 16.87 169
93 85.08 851
94 29.33 293
95 54.35 544
96 12.07 121
97 33.05 331
98 23.43 234
99 5.05 51
103 1.53 15
104 0.93 9
105 8.32 83
106 2.69 27
107 34.59 346
108 10.3 103
109 25.24 252
110 28.34 283
111 38.68 387
112 20.93 209
113 2.13 21
115 1.67 17
117 2.27 23
119 5.87 59
120 1.53 15
121 84.03 840
122 8.46 85
123 8.88 89
124 1.39 14
125 2.55 26
132 1.44 14
134 1.76 18
135 1.56 16
136 54.21 542
137 5.9 59
139 19.82 198
140 1.9 19
145 1.22 12
154 15.33 153
155 2.27 23
//