MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008165
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008165
RECORD_TITLE: TESTOSTERONE METHOXYMETHYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: TESTOSTERONE METHOXYMETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H32O3
CH$EXACT_MASS: 332.23514
CH$SMILES: COCOC(C4)C(C)(C3)C([H])(C4)C([H])(C1)C([H])(C3)C(C)(C2)C(=CC(=O)C2)C1
CH$IUPAC: InChI=1S/C21H32O3/c1-20-10-8-15(22)12-14(20)4-5-16-17-6-7-19(24-13-23-3)21(17,2)11-9-18(16)20/h12,16-19H,4-11,13H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1
CH$LINK: INCHIKEY
DQEDBYWBOBVTFT-PXQJOHHUSA-N
AC$INSTRUMENT: HITACHI M-80
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: splash10-0002-9411000000-61a97ddf49c3d5f5d746
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
15 1.91 19
27 1.98 20
29 3.14 31
39 3.16 32
41 10.53 105
43 1.71 17
45 99.99 999
46 2.12 21
53 4.24 42
55 9.11 91
57 1.08 11
65 2.3 23
66 1.07 11
67 6.02 60
77 6.62 66
78 1.83 18
79 9.35 94
80 1.4 14
81 5.43 54
91 9.94 99
92 1.72 17
93 6.89 69
94 1.59 16
95 5.16 52
97 1.73 17
105 6.43 64
106 1.49 15
107 5.63 56
108 1.38 14
109 2.23 22
111 1.43 14
115 1.34 13
117 2.25 23
119 4.67 47
120 1.29 13
121 4.04 40
122 2.15 22
123 5.57 56
124 4.89 49
129 1.05 11
131 2.5 25
133 4.31 43
134 1.99 20
135 2.48 25
136 1.28 13
137 1.74 17
138 1.7 17
143 1.23 12
145 4.2 42
146 1.89 19
147 6.17 62
148 2.35 24
149 3.42 34
157 1.17 12
159 2.06 21
161 2.09 21
163 1.57 16
168 1.74 17
171 1.01 10
173 1.71 17
174 1 10
175 1.32 13
177 1.11 11
185 1.19 12
187 1.22 12
189 1.25 13
213 1.05 11
227 2.55 26
228 1.44 14
229 1.11 11
243 2.13 21
245 1.21 12
258 1.84 18
259 0.99 10
269 2.41 24
270 2.93 29
271 1.84 18
287 8.65 87
288 1.85 19
300 12.31 123
301 2.79 28
304 1.85 19
332 8.13 81
333 2.2 22
//