ACCESSION: MSBNK-Waters-WA001239
RECORD_TITLE: Nandrolone; LC-ESI-Q; MS; POS; 75 V, 90 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 75 V, 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0a4i-0900000000-40dcfccc49e5463576fa
PK$NUM_PEAK: 86
PK$PEAK: m/z int. rel.int.
  105 353 353
  106 8 8
  107 388 388
  109 999 999
  110 94 94
  111 20 20
  115 63 63
  117 176 176
  119 266 266
  120 16 16
  121 106 106
  122 16 16
  123 90 90
  125 12 12
  128 47 47
  129 82 82
  130 8 8
  131 204 204
  133 192 192
  134 8 8
  135 168 168
  136 20 20
  141 71 71
  142 24 24
  143 145 145
  144 16 16
  145 259 259
  146 12 12
  147 133 133
  148 12 12
  149 114 114
  150 27 27
  151 12 12
  155 74 74
  157 71 71
  158 12 12
  159 98 98
  160 8 8
  161 118 118
  163 35 35
  164 12 12
  165 145 145
  166 24 24
  168 8 8
  169 43 43
  171 16 16
  172 8 8
  173 35 35
  175 20 20
  178 8 8
  180 12 12
  183 35 35
  185 82 82
  187 55 55
  188 31 31
  197 24 24
  198 8 8
  199 39 39
  200 12 12
  201 59 59
  202 16 16
  203 20 20
  209 8 8
  213 20 20
  215 24 24
  216 20 20
  224 8 8
  225 12 12
  226 12 12
  227 27 27
  228 82 82
  229 16 16
  231 16 16
  239 55 55
  240 39 39
  241 31 31
  242 24 24
  243 16 16
  257 16 16
  258 8 8
  275 24 24
  313 12 12
  319 8 8
  342 8 8
  370 8 8
  382 8 8
//