MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006320
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006320
RECORD_TITLE: LABDA-7,14-DIEN-13(R)-OL-ALPHA-L-RHAMNOPYRANOSIDE 2,3-O-ISOPROPYLIDENE DERIVATIVE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: LABDA-7,14-DIEN-13(R)-OL-ALPHA-L-RHAMNOPYRANOSIDE 2,3-O-ISOPROPYLIDENE DERIVATIVE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C29H48O5
CH$EXACT_MASS: 476.35017
CH$SMILES: C(C=4C)(C(C3)(C)C([H])(CC([H])4)C(CC3)(C)C)([H])CCC(C=C)(OC([H])(O2)C(O1)(C(C([H])(O)C2([H])C)(OC(C)(C)1)[H])[H])C
CH$IUPAC: InChI=1S/C29H48O5/c1-10-28(8,34-25-24-23(22(30)19(3)31-25)32-27(6,7)33-24)17-14-20-18(2)12-13-21-26(4,5)15-11-16-29(20,21)9/h10,12,19-25,30H,1,11,13-17H2,2-9H3/t19-,20-,21-,22-,23+,24+,25-,28-,29+/m0/s1
CH$LINK: INCHIKEY
CYVZURJWSZNEAQ-QEUCPSMUSA-N
AC$INSTRUMENT: HITACHI RMU-6L
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: splash10-0pb9-9720000000-fd352cfd0c5a76fe8d5a
PK$NUM_PEAK: 182
PK$PEAK: m/z int. rel.int.
40 4 40
41 54.3 543
42 6.8 68
43 8.83 88
44 4.5 45
45 9.5 95
46 1.5 15
47 0.1 1
51 3.1 31
52 1.5 15
53 11.6 116
54 0.47 5
55 51.5 515
56 8.5 85
57 27.7 277
58 0.9 9
59 61.1 611
60 5.5 55
61 3.5 35
62 0.15 2
63 1.2 12
64 1.8 18
65 4.5 45
66 0.25 3
67 15.6 156
68 10.5 105
69 41.6 416
70 0.7 7
71 23.5 235
72 3.8 38
73 9.4 94
74 0.26 3
75 1.5 15
76 1 10
77 11.7 117
78 0.37 4
79 18.5 185
80 20.5 205
81 58.5 585
82 1.11 11
83 22.8 228
84 10.9 109
85 22.8 228
86 0.24 2
87 2.4 24
88 1.2 12
89 1.7 17
90 0.15 2
91 15.6 156
92 6.4 64
93 28.9 289
94 0.94 9
95 17.3 173
96 6.1 61
97 13.2 132
98 0.34 3
99 11.9 119
100 19.5 195
101 10 100
102 0.21 2
103 3.1 31
104 7 70
105 16.3 163
106 0.7 7
107 22.7 227
108 16.5 165
109 49 490
110 0.7 7
111 7 70
112 2.8 28
113 24.1 241
114 0.7 7
115 7 70
116 2 20
117 4.5 45
118 0.25 3
119 19.5 195
120 9.5 95
121 20.8 208
122 1.18 12
123 12.6 126
124 9.6 96
125 4.4 44
126 0.18 2
127 4.8 48
128 4.8 48
129 23.7 237
130 0.34 3
131 4.4 44
132 1.6 16
133 14 140
134 0.84 8
135 18.5 185
136 6.9 69
137 8.2 82
138 0.22 2
139 2.1 21
140 1.1 11
141 2.1 21
142 0.46 5
143 2.5 25
144 1.8 18
145 20.8 208
146 0.42 4
147 8.3 83
148 10.5 105
149 10.9 109
150 0.27 3
151 3.6 36
152 2 20
153 1.8 18
154 0.15 2
155 2.2 22
156 1.2 12
157 7 70
158 0.22 2
159 4.2 42
160 2.1 21
161 16.4 164
162 0.45 5
163 8.5 85
164 2.1 21
165 2.1 21
166 0.17 2
167 3.8 38
168 1.4 14
169 1.9 19
170 0.19 2
171 4.6 46
172 1.9 19
173 3.2 32
174 0.15 2
175 5.1 51
176 3.4 34
177 6.9 69
178 0.22 2
179 1.5 15
186 4.5 45
187 16 160
188 0.41 4
189 13.5 135
190 4.5 45
191 15.7 157
192 0.45 5
193 1.8 18
201 7.1 71
202 2.2 22
203 1.07 11
204 99.99 999
205 23 230
215 14 140
216 0.25 3
217 2.1 21
218 3.2 32
219 1.8 18
220 0.24 2
229 5 50
249 1.8 18
257 4 40
258 0.18 2
259 1 10
271 9.5 95
272 5.5 55
273 0.4 4
286 0.7 7
288 0.6 6
289 1.6 16
290 0.14 1
291 0.5 5
315 0.3 3
318 0.4 4
319 0.04 0
332 0.4 4
344 0.5 5
377 0.3 3
390 0.05 1
400 0.3 3
418 1.4 14
443 0.2 2
461 0.2 2
462 0.7 7
476 0.1 1
//