MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009148
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009148
RECORD_TITLE: CEDROL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: CEDROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H26O
CH$EXACT_MASS: 222.19837
CH$SMILES: [H]C(C)(C3)C(C2)(C1)C(C3)C(C)(C)C([H])(C(C)(O)C2)1
CH$IUPAC: InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11?,12-,14-,15?/m1/s1
CH$LINK: INCHIKEY
SVURIXNDRWRAFU-OWAXCYOXSA-N
AC$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: splash10-0f6y-9600000000-bdf6fee547e3ab6e28dc
PK$NUM_PEAK: 95
PK$PEAK: m/z int. rel.int.
15 1.36 14
18 1.98 20
27 9.06 91
29 13.47 135
39 12.06 121
41 58.88 589
42 5.54 55
43 61.58 616
44 2.43 24
45 3.76 38
51 2.54 25
52 1.76 18
53 14.02 140
54 3.04 30
55 32.56 326
56 4.48 45
57 5.73 57
58 7.67 77
59 6.05 61
65 6.38 64
66 2.78 28
67 20.54 205
68 3.82 38
69 39.37 394
70 2.85 29
71 14.86 149
72 8.99 90
73 1.39 14
77 17.19 172
78 4.34 43
79 25.79 258
80 4.91 49
81 42.36 424
82 10.83 108
83 7.23 72
84 1.7 17
85 1 10
91 21.63 216
92 5.05 51
93 32.35 324
94 8.96 90
95 99.99 999
96 9.88 99
97 3.39 34
99 7.65 77
103 1.48 15
104 1.24 12
105 16.31 163
106 4.54 45
107 27.99 280
108 15.58 156
109 25 250
110 3.29 33
111 2.76 28
113 1.36 14
115 1.54 15
117 1.89 19
119 18.86 189
120 5.46 55
121 20.42 204
122 12.05 121
123 9.83 98
124 1.48 15
131 1.2 12
133 9.22 92
134 3.88 39
135 20.38 204
136 4.79 48
137 6.25 63
138 1.95 20
139 1.04 10
147 7.19 72
148 3.52 35
149 17.11 171
150 75.7 757
151 71.26 713
152 8.66 87
161 12.71 127
162 3.1 31
163 2.96 30
164 7.11 71
165 9.82 98
166 3.87 39
167 1.65 17
175 1.11 11
177 4.66 47
178 2.46 25
179 2.92 29
189 4.2 42
193 1.5 15
204 5.95 60
205 1.07 11
207 13.31 133
208 2.53 25
222 3.53 35
//