MassBank Record: WA000868



 11-Nor-9-carboxy-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: WA000868
RECORD_TITLE: 11-Nor-9-carboxy-Delta9-THC; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

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$LINK: CAS 56354-06-4
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 19.300 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00kb-1981000000-1b3c7454c76699cb2a2b PK$NUM_PEAK: 68 PK$PEAK: m/z int. rel.int. 91 102 102 93 141 141 94 12 12 95 208 208 96 8 8 101 8 8 102 8 8 105 8 8 111 157 157 114 12 12 119 658 658 120 16 16 123 309 309 129 27 27 132 8 8 134 20 20 136 8 8 137 94 94 147 106 106 148 16 16 153 8 8 161 306 306 162 31 31 165 94 94 177 47 47 181 20 20 187 360 360 189 63 63 193 321 321 194 43 43 207 55 55 211 43 43 213 24 24 214 8 8 215 82 82 217 106 106 218 20 20 219 8 8 221 12 12 228 31 31 229 274 274 231 157 157 232 27 27 234 12 12 235 8 8 243 51 51 244 12 12 249 12 12 256 12 12 257 235 235 259 39 39 262 12 12 271 74 74 272 12 12 273 16 16 281 59 59 282 12 12 283 24 24 285 31 31 286 12 12 299 999 999 300 125 125 309 24 24 326 8 8 327 290 290 328 55 55 345 74 74 346 16 16 //