ACCESSION: MSBNK-Waters-WA000874
RECORD_TITLE: 11-Hydroxy-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: 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 60 V

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

PK$SPLASH: splash10-0kgo-1940000000-455b469a4699a7b85d63
PK$NUM_PEAK: 113
PK$PEAK: m/z int. rel.int.
  91 145 145
  93 141 141
  95 302 302
  96 16 16
  97 43 43
  98 8 8
  101 8 8
  105 341 341
  107 255 255
  109 176 176
  111 51 51
  117 20 20
  118 8 8
  119 188 188
  120 8 8
  121 231 231
  123 368 368
  124 8 8
  125 20 20
  129 16 16
  131 59 59
  133 580 580
  134 43 43
  135 110 110
  137 74 74
  139 8 8
  143 8 8
  145 71 71
  146 27 27
  147 192 192
  149 94 94
  151 31 31
  155 12 12
  157 20 20
  159 51 51
  161 121 121
  162 12 12
  163 47 47
  164 8 8
  165 67 67
  169 20 20
  171 16 16
  173 39 39
  175 219 219
  176 20 20
  177 51 51
  179 12 12
  181 39 39
  182 8 8
  183 78 78
  184 8 8
  185 8 8
  187 94 94
  188 27 27
  189 31 31
  191 16 16
  193 999 999
  194 98 98
  195 12 12
  197 78 78
  198 8 8
  199 12 12
  201 686 686
  202 74 74
  203 20 20
  205 39 39
  207 102 102
  208 8 8
  209 16 16
  210 16 16
  211 24 24
  213 8 8
  215 59 59
  217 153 153
  218 8 8
  219 31 31
  220 8 8
  221 24 24
  224 27 27
  225 63 63
  226 12 12
  227 35 35
  229 67 67
  231 165 165
  232 12 12
  233 71 71
  234 35 35
  235 12 12
  240 8 8
  241 8 8
  242 12 12
  243 125 125
  244 20 20
  245 59 59
  253 12 12
  257 149 149
  258 24 24
  259 16 16
  267 16 16
  270 12 12
  271 184 184
  272 12 12
  281 16 16
  285 31 31
  295 59 59
  296 16 16
  299 141 141
  300 20 20
  313 251 251
  314 43 43
  315 8 8
  327 35 35
  328 12 12
//