ACCESSION: MSBNK-Waters-WA002919
RECORD_TITLE: 3-Hydroxystanozolol; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: 3-Hydroxystanozolol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₂N₂O₂
CH$EXACT_MASS: 344.24638
CH$SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=C(C4)NNC5=O)C
CH$IUPAC: InChI=1S/C21H32N2O2/c1-19-11-14-17(22-23-18(14)24)10-12(19)4-5-13-15(19)6-8-20(2)16(13)7-9-21(20,3)25/h12-13,15-16,25H,4-11H2,1-3H3,(H2,22,23,24)/t12-,13+,15-,16-,19-,20-,21-/m0/s1
CH$LINK: INCHIKEY SWPAIUOYLTYQKK-YEZTZDHTSA-N
CH$LINK: COMPTOX DTXSID50558682

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 14.480 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

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

PK$SPLASH: splash10-0002-0009000000-83edb1a82754f1858653
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  107 16 16
  109 12 12
  111 12 12
  121 27 27
  125 8 8
  135 8 8
  345 999 999
  346 204 204
  347 20 20
  386 20 20
//