MassBank Record: WA000875



 11-Hydroxy-Delta9-THC; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000875
RECORD_TITLE: 11-Hydroxy-Delta9-THC; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: 11-Hydroxy-Delta9-THC CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H30O3 CH$EXACT_MASS: 330.21949 CH$SMILES: CCCCCc(c3)cc(O1)c(c(O)3)C([H])(C=2)C([H])(CCC(CO)2)C(C)(C)1 CH$IUPAC: InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3/t16-,17-/m1/s1 CH$LINK: CAS 36557-05-8 CH$LINK: INCHIKEY YCBKSSAWEUDACY-IAGOWNOFSA-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 19.180 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0359000000-305bccbbba2900bd5f72 PK$NUM_PEAK: 51 PK$PEAK: m/z int. rel.int. 95 74 74 105 20 20 107 31 31 109 31 31 121 27 27 123 16 16 133 141 141 134 12 12 147 8 8 149 8 8 151 8 8 161 8 8 165 16 16 175 67 67 181 8 8 183 8 8 193 161 161 194 16 16 201 137 137 202 16 16 205 8 8 207 16 16 208 8 8 215 12 12 217 27 27 219 27 27 221 16 16 225 24 24 231 39 39 233 47 47 234 8 8 243 67 67 244 8 8 245 20 20 257 55 55 258 8 8 271 102 102 272 12 12 285 24 24 295 71 71 296 16 16 299 71 71 300 16 16 301 8 8 313 999 999 314 223 223 315 12 12 327 118 118 328 24 24 331 67 67 332 12 12 //