MassBank Record: JP003516



 O-CHLORODESMETHYLDIAZEPAM; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003516
RECORD_TITLE: O-CHLORODESMETHYLDIAZEPAM; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO MDEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV., DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: O-CHLORODESMETHYLDIAZEPAM CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H10Cl2N2O CH$EXACT_MASS: 304.01702 CH$SMILES: O=C(C2)Nc(c3)c(cc(Cl)c3)C(=N2)c(c1)c(Cl)ccc1 CH$IUPAC: InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20) CH$LINK: INCHIKEY CHIFCDOIPRCHCF-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6E AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0fb9-6794000000-90a56d756980bc170dc2 PK$NUM_PEAK: 203 PK$PEAK: m/z int. rel.int. 31 2.4 24 36 3.8 38 38 2.7 27 39 9.8 98 41 9.2 92 42 2.7 27 43 7.9 79 44 0.22 2 45 5.9 59 48 1.7 17 49 1.3 13 50 0.85 9 51 16.3 163 52 4.9 49 53 1.9 19 54 0.2 2 55 9.4 94 56 2.5 25 57 16.2 162 60 0.27 3 61 2.6 26 61.5 1.6 16 62 10.9 109 63 1.85 19 64 3.9 39 65 2.8 28 67 1.9 19 68 0.33 3 69 6.7 67 70 2.5 25 71 4.2 42 73 0.58 6 74 9.7 97 74.5 3.7 37 75 47.8 478 75.5 1.39 14 76 25.7 257 76.5 3.4 34 77 19.3 193 78 0.35 4 79 1.3 13 80 3.5 35 81 7.4 74 81.5 0.72 7 82 4.8 48 82.5 1.5 15 83 3.7 37 85 0.28 3 86 4.6 46 87 5.9 59 87.5 1.9 19 88 0.84 8 88.5 24.6 246 89 41 410 89.5 11.1 111 90 0.65 7 91 4.6 46 92 2.9 29 92.5 3.5 35 93 1.36 14 93.5 2.6 26 94 5.9 59 94.5 2.2 22 95 0.34 3 95.5 2.8 28 96 1.6 16 97 2.6 26 98 0.5 5 99 9.3 93 99.5 1.4 14 100 5.9 59 101 0.49 5 101.5 1.9 19 102 46.1 461 102.5 27.8 278 103 2.41 24 103.5 3.7 37 104 3.2 32 105 2.1 21 105.5 0.25 3 106 7.7 77 106.5 6.7 67 107 12.7 127 107.5 0.35 4 108 4.6 46 109 1.7 17 110 3.8 38 111 1.35 14 112 11.2 112 112.5 1.3 13 113 7 70 113.5 0.17 2 114 4.9 49 115 2.5 25 116 11.1 111 117 0.34 3 119 2.7 27 119.5 2.3 23 120 34.4 344 120.5 1.37 14 121 12.3 123 121.5 3.8 38 122 2 20 123 0.53 5 124 5.9 59 125 12.8 128 125.5 1.8 18 126 0.96 10 127 5.6 56 128 2.3 23 129 2.3 23 132 0.17 2 135 1.3 13 136 4.6 46 137 5 50 138 2.9 29 139 9.4 94 140 8.7 87 141 5 50 149 1.16 12 150 18.4 184 151 19.5 195 152 12.4 124 153 3.1 31 155 1.5 15 157 1.5 15 159 2.2 22 160 0.18 2 161 1.5 15 162 2.5 25 163 20.9 209 164 0.66 7 165 9.7 97 166 4.7 47 167 2.5 25 168 0.25 3 173 1.4 14 175 3.8 38 176 9.1 91 177 3.26 33 178 17.3 173 179 9.2 92 180 1.9 19 185 0.2 2 186 4.8 48 187 1.4 14 188 2 20 190 0.26 3 191 3.1 31 192 3.8 38 193 1.3 13 198 0.13 1 199 2.2 22 203 2.4 24 204 3.4 34 205 1.36 14 206 9.8 98 207 1.9 19 211 2.5 25 212 0.48 5 213 9.3 93 214 11.3 113 215 4.7 47 216 0.47 5 226 1.9 19 227 4.5 45 228 1.7 17 229 0.15 2 233 3.2 32 234 9.7 97 235 2.5 25 239 1.49 15 240 11.6 116 241 42.6 426 242 12.4 124 243 1.26 13 244 2.9 29 248 7.2 72 249 1.9 19 250 0.47 5 251 1.6 16 252 1.4 14 262 2.4 24 264 0.14 1 268 21.9 219 269 99.99 999 270 23.4 234 271 3.38 34 272 5.3 53 275 85.5 855 276 63.8 638 277 7.5 75 278 43.4 434 279 22.5 225 280 7.9 79 281 0.19 2 303 62.2 622 304 99 990 305 58.2 582 306 6.35 64 307 17.4 174 308 11.2 112 309 2 20 //