MassBank Record: WA000874



 11-Hydroxy-Delta9-THC; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000874
RECORD_TITLE: 11-Hydroxy-Delta9-THC; LC-ESI-Q; MS; POS; 60 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$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0kgo-1940000000-455b469a4699a7b85d63 PK$NUM_PEAK: 113 PK$PEAK: m/z int. rel.int. 91 145 145 93 141 141 95 302 302 96 16 16 97 43 43 98 8 8 101 8 8 105 341 341 107 255 255 109 176 176 111 51 51 117 20 20 118 8 8 119 188 188 120 8 8 121 231 231 123 368 368 124 8 8 125 20 20 129 16 16 131 59 59 133 580 580 134 43 43 135 110 110 137 74 74 139 8 8 143 8 8 145 71 71 146 27 27 147 192 192 149 94 94 151 31 31 155 12 12 157 20 20 159 51 51 161 121 121 162 12 12 163 47 47 164 8 8 165 67 67 169 20 20 171 16 16 173 39 39 175 219 219 176 20 20 177 51 51 179 12 12 181 39 39 182 8 8 183 78 78 184 8 8 185 8 8 187 94 94 188 27 27 189 31 31 191 16 16 193 999 999 194 98 98 195 12 12 197 78 78 198 8 8 199 12 12 201 686 686 202 74 74 203 20 20 205 39 39 207 102 102 208 8 8 209 16 16 210 16 16 211 24 24 213 8 8 215 59 59 217 153 153 218 8 8 219 31 31 220 8 8 221 24 24 224 27 27 225 63 63 226 12 12 227 35 35 229 67 67 231 165 165 232 12 12 233 71 71 234 35 35 235 12 12 240 8 8 241 8 8 242 12 12 243 125 125 244 20 20 245 59 59 253 12 12 257 149 149 258 24 24 259 16 16 267 16 16 270 12 12 271 184 184 272 12 12 281 16 16 285 31 31 295 59 59 296 16 16 299 141 141 300 20 20 313 251 251 314 43 43 315 8 8 327 35 35 328 12 12 //