MassBank Record: WA000873



 11-Hydroxy-Delta9-THC; LC-ESI-Q; MS; POS; 75 V, 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000873
RECORD_TITLE: 11-Hydroxy-Delta9-THC; LC-ESI-Q; MS; POS; 75 V, 90 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$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4l-1910000000-9ade89e99d2977f01c7a PK$NUM_PEAK: 126 PK$PEAK: m/z int. rel.int. 91 560 560 93 274 274 94 8 8 95 317 317 96 16 16 97 43 43 103 12 12 105 999 999 106 31 31 107 286 286 108 8 8 109 298 298 111 71 71 115 8 8 116 12 12 117 168 168 118 63 63 119 529 529 120 31 31 121 180 180 123 748 748 124 43 43 125 8 8 128 20 20 129 78 78 130 8 8 131 149 149 132 12 12 133 454 454 134 55 55 135 102 102 136 8 8 137 270 270 141 47 47 142 16 16 143 59 59 144 20 20 145 176 176 146 31 31 147 278 278 148 12 12 149 86 86 150 8 8 151 16 16 153 12 12 154 12 12 155 98 98 156 12 12 157 39 39 158 31 31 159 86 86 160 39 39 161 274 274 162 16 16 163 27 27 164 20 20 165 137 137 166 8 8 167 27 27 168 27 27 169 47 47 171 43 43 173 74 74 174 31 31 175 149 149 176 16 16 177 35 35 178 8 8 179 8 8 181 27 27 182 31 31 183 118 118 185 47 47 186 16 16 187 165 165 188 16 16 189 51 51 191 20 20 192 8 8 193 831 831 194 67 67 195 24 24 196 16 16 197 71 71 198 8 8 199 55 55 200 24 24 201 392 392 202 55 55 205 8 8 206 12 12 207 67 67 208 8 8 209 39 39 210 27 27 211 20 20 213 55 55 214 12 12 215 43 43 217 59 59 218 24 24 219 8 8 224 20 20 225 31 31 227 59 59 228 16 16 229 47 47 230 8 8 231 106 106 232 8 8 233 8 8 234 16 16 235 8 8 241 8 8 242 27 27 243 67 67 245 20 20 253 8 8 257 82 82 259 12 12 271 20 20 285 12 12 295 8 8 296 8 8 299 27 27 313 16 16 //