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) \n

ACCESSION: WA002918
RECORD_TITLE: 3-Hydroxystanozolol; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (2007.08.01, 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$LINK: INCHIKEY SWPAIUOYLTYQKK-YEZTZDHTSA-N
AC$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 //