ACCESSION: MSBNK-Waters-WA000531
RECORD_TITLE: Stanozolol; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Stanozolol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₂N₂O
CH$EXACT_MASS: 328.25146
CH$SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=C(C4)NN=C5)C
CH$IUPAC: InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1
CH$LINK: CAS 10418-03-8
CH$LINK: INCHIKEY LKAJKIOFIWVMDJ-IYRCEVNGSA-N
CH$LINK: COMPTOX DTXSID3044128

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 17.370 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 90 V

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

PK$SPLASH: splash10-056r-0905000000-8ad71972ec48daa4619d
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  107 262 262
  109 270 270
  110 12 12
  111 20 20
  119 78 78
  121 329 329
  122 31 31
  123 82 82
  125 20 20
  131 12 12
  133 78 78
  135 125 125
  136 12 12
  137 20 20
  145 16 16
  147 71 71
  149 90 90
  150 8 8
  151 8 8
  159 24 24
  161 74 74
  163 51 51
  173 24 24
  175 63 63
  177 43 43
  187 20 20
  189 59 59
  190 8 8
  191 12 12
  201 27 27
  203 59 59
  205 16 16
  215 16 16
  217 20 20
  229 24 24
  255 8 8
  259 8 8
  271 12 12
  311 16 16
  329 999 999
  330 196 196
  331 16 16
  370 35 35
  371 12 12
//