MassBank Record: WA002832



 6-Acetylmorphine; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA002832
RECORD_TITLE: 6-Acetylmorphine; LC-ESI-Q; MS; POS; 75 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$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-02u3-0951000000-3e6a0ca292012523504a PK$NUM_PEAK: 130 PK$PEAK: m/z int. rel.int. 103 16 16 105 47 47 107 20 20 108 39 39 109 12 12 110 8 8 115 31 31 117 71 71 118 8 8 119 8 8 120 8 8 121 51 51 123 55 55 124 8 8 129 27 27 131 31 31 132 31 31 133 16 16 134 16 16 135 12 12 137 20 20 141 78 78 143 24 24 144 35 35 145 78 78 146 51 51 147 67 67 148 12 12 149 12 12 152 20 20 153 184 184 154 24 24 155 165 165 156 16 16 157 71 71 158 27 27 159 24 24 160 24 24 161 43 43 162 27 27 163 8 8 165 999 999 166 188 188 167 51 51 168 16 16 169 67 67 170 20 20 171 47 47 173 110 110 174 16 16 175 16 16 176 12 12 177 12 12 178 71 71 179 102 102 181 466 466 182 47 47 183 411 411 184 59 59 185 133 133 186 35 35 187 55 55 188 8 8 189 24 24 190 51 51 191 396 396 192 27 27 193 627 627 194 118 118 195 43 43 196 16 16 197 63 63 198 39 39 199 82 82 200 8 8 201 235 235 202 59 59 203 27 27 204 8 8 205 12 12 206 16 16 207 78 78 208 16 16 209 462 462 210 59 59 211 760 760 212 118 118 213 31 31 214 20 20 215 8 8 216 8 8 218 24 24 219 176 176 220 35 35 221 71 71 222 78 78 223 16 16 224 16 16 225 51 51 226 24 24 227 121 121 228 20 20 229 90 90 230 8 8 234 12 12 235 24 24 236 8 8 237 114 114 238 27 27 239 47 47 240 67 67 241 12 12 248 8 8 250 24 24 251 12 12 252 24 24 253 39 39 254 16 16 255 27 27 256 16 16 258 8 8 266 8 8 268 168 168 269 35 35 284 12 12 286 51 51 328 568 568 329 110 110 330 8 8 346 12 12 //