MassBank Record: WA002848



 7-Aminoclonazepam; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002848
RECORD_TITLE: 7-Aminoclonazepam; 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$NAME: 7-Aminoclonazepam CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H12ClN3O CH$EXACT_MASS: 285.06689 CH$SMILES: O=C(C2)Nc(c3)c(cc(N)c3)C(=N2)c(c1)c(Cl)ccc1 CH$IUPAC: InChI=1S/C15H12ClN3O/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)19-14(20)8-18-15/h1-7H,8,17H2,(H,19,20) CH$LINK: CAS 4959-17-5 CH$LINK: INCHIKEY HEFRPWRJTGLSSV-UHFFFAOYSA-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 12.110 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$SPLASH: splash10-00di-0980000000-9e2336fb644e85db2027 PK$NUM_PEAK: 70 PK$PEAK: m/z int. rel.int. 104 27 27 105 12 12 106 12 12 107 27 27 108 8 8 119 31 31 121 999 999 122 63 63 125 24 24 127 8 8 131 24 24 132 43 43 133 12 12 138 20 20 139 16 16 140 8 8 144 20 20 146 59 59 147 43 43 149 27 27 150 8 8 152 8 8 166 27 27 167 27 27 168 16 16 178 24 24 179 12 12 180 20 20 181 12 12 182 24 24 192 8 8 193 27 27 194 137 137 195 239 239 196 31 31 205 86 86 206 74 74 207 47 47 208 20 20 209 149 149 210 16 16 211 12 12 214 12 12 220 12 12 221 35 35 222 541 541 223 118 118 224 12 12 229 8 8 231 8 8 233 16 16 234 16 16 235 8 8 241 12 12 242 43 43 243 12 12 244 20 20 246 8 8 250 184 184 251 24 24 252 8 8 256 8 8 257 12 12 258 24 24 286 219 219 287 27 27 288 86 86 289 8 8 308 8 8 324 12 12 //