MassBank Record: MSBNK-Waters-WA000875
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
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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
//
system version 2.2.6-SNAPSHOT