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MassBank Record: WA002918

3-Hydroxystanozolol; LC-ESI-Q; MS; POS; 90 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002918
RECORD_TITLE: 3-Hydroxystanozolol; 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$NAME: 3-Hydroxystanozolol
CH$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 90 V

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

PK$SPLASH: splash10-0002-0509000000-79b4deef61e5c2e75d25
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  105 31 31
  107 90 90
  109 55 55
  111 63 63
  119 39 39
  121 106 106
  122 8 8
  123 27 27
  125 31 31
  131 8 8
  133 27 27
  135 27 27
  137 16 16
  138 16 16
  139 8 8
  145 8 8
  147 16 16
  149 16 16
  151 20 20
  159 12 12
  161 16 16
  163 16 16
  165 20 20
  173 12 12
  175 8 8
  177 12 12
  179 8 8
  189 20 20
  191 16 16
  193 8 8
  205 12 12
  217 8 8
  219 16 16
  229 12 12
  345 999 999
  346 200 200
  347 16 16
  383 12 12
  386 16 16
//

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