MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006332
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006332
RECORD_TITLE: (16R)-ENT-15-OXOKAURAN-18-OIC ACID; 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$NAME: (16R)-ENT-15-OXOKAURAN-18-OIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H30O3
CH$EXACT_MASS: 318.21949
CH$SMILES: OC(=O)C(C)(C4)C([H])(C3)C(C)(CC4)C([H])(C2)C(C3)(C1)C(=O)C([H])(C)C([H])(C2)1
CH$IUPAC: InChI=1S/C20H30O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h12-15H,4-11H2,1-3H3,(H,22,23)/t12-,13+,14-,15-,18+,19+,20+/m1/s1
CH$LINK: INCHIKEY
TUIVCCRIADUHNA-OPXKYWMESA-N
AC$INSTRUMENT: HITACHI RMU-7L
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: splash10-054o-9510000000-f36ea91c209d0b311d2f
PK$NUM_PEAK: 104
PK$PEAK: m/z int. rel.int.
40 5.5 55
41 99.99 999
42 10.5 105
43 5.8 58
44 2 20
45 10 100
53 31.5 315
54 0.82 8
55 86.5 865
56 8.5 85
57 18 180
58 1.05 11
59 7.5 75
65 15.5 155
66 7.7 77
67 6.15 62
68 12.5 125
69 29 290
70 5.5 55
71 1.05 11
77 45.5 455
78 10.5 105
79 76.5 765
80 1.8 18
81 69 690
82 12.5 125
83 9.5 95
87 1.05 11
91 64.5 645
92 39.7 397
93 52.4 524
94 3.98 40
95 39.6 396
96 10 100
97 10.5 105
101 0.87 9
104 8.5 85
105 38.4 384
106 29.3 293
107 6.1 61
108 16.6 166
109 44.3 443
110 10.5 105
111 0.8 8
115 11.5 115
117 14 140
118 6.8 68
119 2.15 22
120 10.5 105
121 53.2 532
122 25 250
123 3.73 37
124 9.5 95
129 6 60
131 15.7 157
132 0.65 7
133 15.9 159
134 8.8 88
135 15.9 159
136 0.7 7
137 6.5 65
139 12.5 125
143 7 70
145 1.55 16
147 13 130
149 11.4 114
150 10.5 105
151 1.1 11
159 10.5 105
160 1.5 15
161 9.5 95
166 0.64 6
167 12 120
173 12.5 125
174 6.7 67
175 0.75 8
189 6.2 62
199 8.7 87
200 1.5 15
204 0.75 8
205 9 90
214 6 60
215 9 90
229 1.25 13
239 11.2 112
240 1.5 15
241 1 10
243 1 10
245 17.4 174
246 2.5 25
257 14 140
258 0.1 1
259 2 20
260 42 420
261 21.5 215
272 1.8 18
273 8 80
274 5.5 55
275 11.5 115
285 0.55 6
300 0.5 5
303 1 10
318 27.5 275
319 6.5 65
//