ACCESSION: MSBNK-Waters-WA000873
RECORD_TITLE: 11-Hydroxy-Delta9-THC; LC-ESI-Q; MS; POS; 75 V, 90 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 75 V, 90 V

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

PK$SPLASH: splash10-0a4l-1910000000-9ade89e99d2977f01c7a
PK$NUM_PEAK: 126
PK$PEAK: m/z int. rel.int.
  91 560 560
  93 274 274
  94 8 8
  95 317 317
  96 16 16
  97 43 43
  103 12 12
  105 999 999
  106 31 31
  107 286 286
  108 8 8
  109 298 298
  111 71 71
  115 8 8
  116 12 12
  117 168 168
  118 63 63
  119 529 529
  120 31 31
  121 180 180
  123 748 748
  124 43 43
  125 8 8
  128 20 20
  129 78 78
  130 8 8
  131 149 149
  132 12 12
  133 454 454
  134 55 55
  135 102 102
  136 8 8
  137 270 270
  141 47 47
  142 16 16
  143 59 59
  144 20 20
  145 176 176
  146 31 31
  147 278 278
  148 12 12
  149 86 86
  150 8 8
  151 16 16
  153 12 12
  154 12 12
  155 98 98
  156 12 12
  157 39 39
  158 31 31
  159 86 86
  160 39 39
  161 274 274
  162 16 16
  163 27 27
  164 20 20
  165 137 137
  166 8 8
  167 27 27
  168 27 27
  169 47 47
  171 43 43
  173 74 74
  174 31 31
  175 149 149
  176 16 16
  177 35 35
  178 8 8
  179 8 8
  181 27 27
  182 31 31
  183 118 118
  185 47 47
  186 16 16
  187 165 165
  188 16 16
  189 51 51
  191 20 20
  192 8 8
  193 831 831
  194 67 67
  195 24 24
  196 16 16
  197 71 71
  198 8 8
  199 55 55
  200 24 24
  201 392 392
  202 55 55
  205 8 8
  206 12 12
  207 67 67
  208 8 8
  209 39 39
  210 27 27
  211 20 20
  213 55 55
  214 12 12
  215 43 43
  217 59 59
  218 24 24
  219 8 8
  224 20 20
  225 31 31
  227 59 59
  228 16 16
  229 47 47
  230 8 8
  231 106 106
  232 8 8
  233 8 8
  234 16 16
  235 8 8
  241 8 8
  242 27 27
  243 67 67
  245 20 20
  253 8 8
  257 82 82
  259 12 12
  271 20 20
  285 12 12
  295 8 8
  296 8 8
  299 27 27
  313 16 16
//