MassBank Record: WA002833



 6-Acetylmorphine; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002833
RECORD_TITLE: 6-Acetylmorphine; LC-ESI-Q; MS; POS; 60 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$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004i-0698000000-5d0a83ca69369965e15a PK$NUM_PEAK: 67 PK$PEAK: m/z int. rel.int. 105 8 8 108 12 12 117 8 8 121 8 8 132 8 8 141 8 8 144 12 12 145 8 8 146 16 16 153 12 12 155 12 12 158 8 8 159 8 8 161 16 16 162 8 8 165 149 149 166 24 24 167 8 8 173 16 16 178 8 8 179 16 16 181 47 47 183 106 106 184 16 16 185 16 16 187 16 16 191 86 86 193 251 251 194 35 35 195 8 8 197 12 12 199 12 12 201 51 51 202 12 12 203 12 12 207 24 24 209 94 94 210 8 8 211 443 443 212 55 55 213 8 8 219 78 78 220 12 12 221 27 27 222 20 20 223 8 8 225 20 20 227 24 24 229 43 43 235 8 8 237 51 51 238 8 8 239 31 31 240 27 27 250 8 8 253 12 12 255 16 16 256 8 8 268 153 153 269 27 27 284 12 12 286 43 43 287 8 8 328 999 999 329 180 180 330 16 16 346 16 16 //