ACCESSION: MSBNK-Waters-WA000875
RECORD_TITLE: 11-Hydroxy-Delta9-THC; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 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
CH$LINK: COMPTOX DTXSID50190061

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 45 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-03di-0359000000-305bccbbba2900bd5f72
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  95 74 74
  105 20 20
  107 31 31
  109 31 31
  121 27 27
  123 16 16
  133 141 141
  134 12 12
  147 8 8
  149 8 8
  151 8 8
  161 8 8
  165 16 16
  175 67 67
  181 8 8
  183 8 8
  193 161 161
  194 16 16
  201 137 137
  202 16 16
  205 8 8
  207 16 16
  208 8 8
  215 12 12
  217 27 27
  219 27 27
  221 16 16
  225 24 24
  231 39 39
  233 47 47
  234 8 8
  243 67 67
  244 8 8
  245 20 20
  257 55 55
  258 8 8
  271 102 102
  272 12 12
  285 24 24
  295 71 71
  296 16 16
  299 71 71
  300 16 16
  301 8 8
  313 999 999
  314 223 223
  315 12 12
  327 118 118
  328 24 24
  331 67 67
  332 12 12
//