MassBank Record: MSBNK-Waters-WA001241
ACCESSION: MSBNK-Waters-WA001241
RECORD_TITLE: Nandrolone; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Nandrolone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H26O2
CH$EXACT_MASS: 274.19328
CH$SMILES: O=C(C4)C=C(C3)C([H])(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(O)C1
CH$IUPAC: InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
CH$LINK: CAS
434-22-0
CH$LINK: INCHIKEY
NPAGDVCDWIYMMC-IZPLOLCNSA-N
CH$LINK: COMPTOX
DTXSID7023350
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 16.000 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-056r-0690000000-fb8e0d6bd8e591764cd0
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
103 35 35
105 102 102
107 90 90
108 8 8
109 266 266
110 31 31
111 8 8
112 16 16
113 20 20
115 20 20
118 8 8
121 47 47
122 24 24
124 24 24
125 16 16
129 20 20
130 24 24
131 43 43
135 110 110
136 20 20
140 12 12
145 125 125
147 118 118
149 118 118
150 20 20
157 27 27
159 20 20
161 90 90
163 51 51
165 51 51
169 35 35
170 8 8
175 20 20
178 12 12
183 35 35
185 74 74
187 74 74
188 24 24
189 24 24
193 12 12
194 8 8
197 39 39
199 59 59
200 31 31
203 51 51
204 12 12
205 8 8
209 8 8
211 24 24
213 8 8
214 8 8
215 47 47
220 8 8
222 8 8
223 12 12
226 31 31
227 12 12
228 27 27
229 12 12
231 16 16
232 12 12
239 180 180
243 368 368
244 55 55
245 12 12
250 8 8
255 8 8
257 388 388
259 8 8
269 8 8
271 8 8
275 999 999
276 219 219
277 31 31
290 8 8
293 8 8
299 8 8
313 8 8
316 51 51
317 12 12
327 20 20
333 12 12
338 8 8
357 8 8
371 8 8
373 8 8
415 8 8
455 8 8
//