MassBank Record: WA002831



 6-Acetylmorphine; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA002831
RECORD_TITLE: 6-Acetylmorphine; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: 6-Acetylmorphine CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H21NO4 CH$EXACT_MASS: 327.14706 CH$SMILES: CC(=O)OC(C=5)C(O2)C(C4)(c13)C([H])(C5)C(N(C)C4)Cc(ccc(O)c23)1 CH$IUPAC: InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1 CH$LINK: CAS 2784-73-8 CH$LINK: INCHIKEY JJGYGPZNTOPXGV-SSTWWWIQSA-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 10.000 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0159-0920000000-614c36513bef758ab00f PK$NUM_PEAK: 124 PK$PEAK: m/z int. rel.int. 103 35 35 105 59 59 107 39 39 108 20 20 115 90 90 117 102 102 118 8 8 119 16 16 120 12 12 121 35 35 123 59 59 124 8 8 127 8 8 128 51 51 129 67 67 130 8 8 131 51 51 132 39 39 133 27 27 134 8 8 135 12 12 137 8 8 139 8 8 141 125 125 142 16 16 143 43 43 144 43 43 145 114 114 146 35 35 147 94 94 148 8 8 151 8 8 152 133 133 153 545 545 154 74 74 155 231 231 156 16 16 157 180 180 158 39 39 159 24 24 160 35 35 161 35 35 162 20 20 163 8 8 164 8 8 165 999 999 166 235 235 167 63 63 168 63 63 169 98 98 170 31 31 171 98 98 172 8 8 173 94 94 174 8 8 175 12 12 176 16 16 177 12 12 178 94 94 179 114 114 180 12 12 181 701 701 182 102 102 183 231 231 184 78 78 185 137 137 186 35 35 187 31 31 189 74 74 190 125 125 191 286 286 192 35 35 193 215 215 194 118 118 195 35 35 196 20 20 197 67 67 198 55 55 199 78 78 200 16 16 201 118 118 202 47 47 203 20 20 204 8 8 205 16 16 206 24 24 207 55 55 208 24 24 209 345 345 210 63 63 211 239 239 212 43 43 213 27 27 214 16 16 218 31 31 219 82 82 220 20 20 221 43 43 222 59 59 223 16 16 224 16 16 225 31 31 226 24 24 227 90 90 228 20 20 229 27 27 234 12 12 235 12 12 236 12 12 237 47 47 238 16 16 239 12 12 240 35 35 248 8 8 250 12 12 252 24 24 253 12 12 254 12 12 266 8 8 268 39 39 269 8 8 286 12 12 328 133 133 329 24 24 //