MassBank Record: WA000869



 11-Nor-9-carboxy-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: WA000869
RECORD_TITLE: 11-Nor-9-carboxy-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$NAME: 11-Nor-9-carboxy-Delta9-THC CH$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$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-002b-0149000000-53fec9df8e4d1a90516f PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 86 16 16 89 16 16 92 12 12 95 16 16 99 12 12 105 8 8 111 16 16 119 82 82 123 24 24 140 8 8 147 24 24 161 27 27 165 59 59 181 47 47 183 12 12 187 8 8 193 102 102 194 12 12 201 12 12 207 16 16 215 16 16 217 16 16 229 39 39 231 31 31 235 8 8 243 20 20 257 47 47 258 8 8 271 59 59 281 27 27 282 8 8 285 8 8 286 8 8 299 717 717 300 121 121 301 12 12 327 999 999 328 200 200 329 27 27 341 16 16 345 517 517 346 86 86 //