MassBank Record: WA002847



 7-Aminoclonazepam; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA002847
RECORD_TITLE: 7-Aminoclonazepam; 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$NAME: 7-Aminoclonazepam CH$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$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00di-0940000000-a15d7d6a41ecea08a6b1 PK$NUM_PEAK: 85 PK$PEAK: m/z int. rel.int. 102 12 12 104 106 106 105 39 39 106 24 24 107 51 51 108 12 12 111 8 8 115 8 8 117 8 8 118 55 55 119 106 106 121 999 999 122 55 55 125 47 47 127 20 20 129 12 12 130 20 20 131 31 31 132 55 55 133 31 31 138 35 35 139 12 12 140 20 20 141 8 8 143 12 12 144 27 27 146 71 71 147 47 47 149 12 12 150 12 12 151 12 12 152 20 20 153 12 12 154 16 16 155 8 8 166 59 59 167 106 106 168 55 55 169 16 16 177 12 12 178 55 55 179 51 51 180 63 63 181 31 31 182 39 39 183 8 8 190 8 8 191 8 8 192 27 27 193 47 47 194 133 133 195 282 282 196 47 47 205 125 125 206 106 106 207 67 67 208 39 39 209 161 161 210 12 12 214 20 20 216 12 12 220 27 27 221 51 51 222 259 259 223 63 63 224 8 8 229 8 8 231 8 8 232 8 8 233 16 16 234 12 12 235 8 8 241 8 8 242 47 47 243 12 12 244 16 16 250 51 51 251 8 8 256 8 8 257 12 12 258 8 8 286 141 141 287 16 16 288 51 51 324 12 12 //