MassBank Record: JP003515



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

ACCESSION: JP003515
RECORD_TITLE: O-CHLORODIAZEPAM; 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$NAME: O-CHLORODIAZEPAM CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H12Cl2N2O CH$EXACT_MASS: 318.03267 CH$SMILES: Clc(c3)cc(c(c3)2)C(=NCC(=O)N(C)2)c(c1)c(Cl)ccc1 CH$IUPAC: InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3 CH$LINK: INCHIKEY VPAYQWRBBOGGPY-UHFFFAOYSA-N
AC$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: splash10-015c-4695000000-bec70b233f58559505f4 PK$NUM_PEAK: 203 PK$PEAK: m/z int. rel.int. 15 1.7 17 18 1.8 18 27 2.1 21 28 2.9 29 31 2.5 25 36 2 20 38 1.5 15 39 0.64 6 41 2.5 25 42 6.4 64 43 1.8 18 45 0.18 2 50 5 50 51 7.5 75 52 1.9 19 55 0.21 2 57 1.8 18 58 2.1 21 62 4.6 46 63 1.04 10 64 2.1 21 65 2.5 25 68 2 20 69 0.19 2 69.5 1.6 16 71 1.5 15 73 3.6 36 74 0.51 5 75 21.8 218 75.5 2.8 28 76 7.2 72 77 0.71 7 80 1.8 18 81 7.1 71 81.5 12.1 121 82 1.05 11 82.5 7.4 74 83 1.4 14 83.5 3.1 31 86 0.24 2 87 4.2 42 88 4.8 48 88.5 4.7 47 89 1.83 18 89.5 1.8 18 90 5.2 52 91 2.3 23 92.5 0.14 1 93 3.6 36 94 2.4 24 94.5 3.1 31 95 0.33 3 95.5 21.2 212 96 9.1 91 96.5 6.3 63 97 0.18 2 98 2.6 26 99 8 80 99.5 3.7 37 100 0.47 5 100.5 3.5 35 101 3.2 32 101.5 2.2 22 102 1.15 12 102.5 3.8 38 103 2.9 29 106 2.5 25 106.5 0.22 2 108 1.4 14 108.5 2.1 21 109 20.3 203 109.5 2.19 22 110 18.3 183 110.5 2.7 27 111 13.1 131 112 0.41 4 112.5 2.9 29 113 6.2 62 113.5 5.8 58 114 0.54 5 114.5 2 20 115 2.2 22 116 5 50 117 0.87 9 118 1.7 17 119.5 2.7 27 120 3.9 39 120.5 0.17 2 121 1.7 17 123 4.4 44 124 5.7 57 125 1.86 19 126 6 60 126.5 3.3 33 127 28.9 289 127.5 1.29 13 128 10.4 104 128.5 4.2 42 130.5 1.7 17 134 0.44 4 135 1.7 17 136 3.1 31 137 4.4 44 138 0.54 5 139 2.7 27 140 2 20 141 2.8 28 141.5 0.36 4 142 1.5 15 145 3.2 32 146 2.4 24 149 0.37 4 150 8.7 87 151 8 80 152 7.2 72 153 0.19 2 154 1.6 16 159 3.8 38 160 3.1 31 161 0.19 2 162 2.5 25 163 11 110 164 7.4 74 165 11.9 119 166 3 30 175 2.3 23 176 4.8 48 177 1.57 16 178 6.1 61 179 3.9 39 181 1.5 15 186 0.3 3 188 2 20 190 4.6 46 191 4.7 47 192 0.37 4 193 2.3 23 198 1.8 18 199 5.3 53 200 0.19 2 201 2.3 23 203 2.5 25 204 2.5 25 205 0.47 5 206 1.9 19 211 2.1 21 212 2.5 25 213 0.3 3 214 1.7 17 218 1.9 19 219 6 60 220 0.23 2 221 1.5 15 226 2.9 29 227 3.8 38 228 0.19 2 233 1.8 18 238 4 40 239 7.6 76 240 0.43 4 241 3.6 36 242 1.5 15 247 2 20 248 0.71 7 249 1.9 19 253 6 60 254 2.6 26 255 3.89 39 256 10.3 103 257 13.1 131 258 3.1 31 262 0.17 2 264 1.4 14 267 1.7 17 268 5.5 55 269 0.22 2 270 2.1 21 273 2.7 27 274 1.3 13 275 0.97 10 276 2.8 28 277 5.8 58 278 1.7 17 279 0.14 1 282 13 130 283 87.8 878 284 22.1 221 285 3.06 31 286 5.4 54 289 33.3 333 290 64.5 645 291 3.88 39 292 42.6 426 293 14.9 149 294 7.4 74 295 0.23 2 317 58.2 582 318 99.99 999 319 52.8 528 320 6.54 65 321 17.7 177 322 11.2 112 323 1.9 19 //