MassBank Record: WA000867



 11-Nor-9-carboxy-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: WA000867
RECORD_TITLE: 11-Nor-9-carboxy-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$NAME: 11-Nor-9-carboxy-Delta9-THC CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H28O4 CH$EXACT_MASS: 344.19876 CH$SMILES: CCCCCc(c3)cc(O1)c(c(O)3)C([H])(C=2)C([H])(CCC(C(O)=O)2)C(C)(C)1 CH$IUPAC: InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1 CH$LINK: CAS 56354-06-4 CH$LINK: INCHIKEY YOVRGSHRZRJTLZ-HZPDHXFCSA-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 19.300 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$SPLASH: splash10-07i6-1910000000-8c01d718b613646a396c PK$NUM_PEAK: 133 PK$PEAK: m/z int. rel.int. 81 239 239 82 31 31 85 8 8 89 8 8 91 427 427 93 259 259 95 404 404 96 8 8 97 39 39 103 8 8 105 525 525 106 12 12 107 368 368 108 24 24 109 161 161 110 24 24 111 137 137 112 8 8 115 24 24 116 16 16 117 235 235 118 71 71 119 936 936 121 137 137 123 999 999 124 35 35 125 8 8 126 12 12 128 24 24 129 39 39 130 24 24 131 114 114 133 407 407 135 78 78 136 31 31 137 259 259 141 90 90 142 24 24 143 129 129 145 165 165 146 27 27 147 196 196 148 20 20 149 55 55 152 8 8 154 12 12 155 27 27 157 47 47 158 43 43 159 153 153 160 71 71 161 713 713 162 24 24 163 82 82 164 20 20 165 137 137 167 24 24 168 8 8 169 74 74 170 8 8 171 39 39 173 118 118 174 31 31 175 35 35 176 8 8 177 47 47 178 16 16 179 8 8 181 20 20 182 24 24 183 51 51 185 74 74 186 24 24 187 404 404 188 63 63 189 71 71 190 20 20 191 20 20 193 909 909 194 102 102 195 35 35 196 47 47 198 8 8 199 16 16 201 188 188 202 43 43 205 16 16 206 16 16 207 74 74 209 31 31 210 35 35 211 43 43 213 125 125 214 12 12 215 98 98 216 8 8 217 78 78 218 39 39 219 8 8 225 20 20 227 55 55 228 47 47 229 121 121 230 16 16 231 176 176 232 16 16 233 20 20 234 8 8 239 12 12 243 149 149 245 27 27 248 12 12 253 8 8 256 8 8 257 121 121 258 20 20 259 24 24 260 8 8 261 24 24 271 24 24 273 8 8 281 20 20 282 8 8 285 47 47 299 110 110 300 20 20 313 8 8 339 8 8 345 35 35 346 8 8 355 8 8 362 12 12 367 8 8 //