MassBank Record: JP004075



 ORTHO-CHLORO-3-METHOXYDIAZEPAM; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP004075
RECORD_TITLE: ORTHO-CHLORO-3-METHOXYDIAZEPAM; 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$NAME: ORTHO-CHLORO-3-METHOXYDIAZEPAM CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H14Cl2N2O2 CH$EXACT_MASS: 348.04323 CH$SMILES: COC(N=1)C(=O)N(C)c(c3)c(cc(Cl)c3)C1c(c2)c(Cl)ccc2 CH$IUPAC: InChI=1S/C17H14Cl2N2O2/c1-21-14-8-7-10(18)9-12(14)15(20-16(23-2)17(21)22)11-5-3-4-6-13(11)19/h3-9,16H,1-2H3 CH$LINK: INCHIKEY NUPVEWMVMAZQIC-UHFFFAOYSA-N
AC$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: splash10-0a4i-3879000000-0ff801e73ea82b02d6da PK$NUM_PEAK: 171 PK$PEAK: m/z int. rel.int. 39 3.6 36 42 3.1 31 43 1.4 14 45 1.5 15 50 3.4 34 51 6 60 58 1.9 19 62 0.26 3 63 7.1 71 64 1.6 16 65 1.4 14 70 0.41 4 73 2.6 26 74 3.1 31 75 14.9 149 75.5 0.2 2 76 6.6 66 77 5.1 51 81 5.3 53 82 0.66 7 83 3.1 31 86 1.7 17 87 2.9 29 88 0.32 3 89 8.4 84 90 3.1 31 93 2.8 28 95 1.29 13 96 6.1 61 96.5 8.3 83 97 2 20 98 0.15 2 99 4.8 48 100 4.9 49 101 3.2 32 102 0.63 6 102.5 1.8 18 103 4.4 44 104 1.8 18 105 0.15 2 106.5 2.2 22 110 2 20 111 7.6 76 112 0.25 3 113 4.6 46 113.5 7.8 78 114 10.6 106 114.5 0.37 4 115 4.2 42 116 2.3 23 117 11.5 115 117.5 0.28 3 118 1.7 17 123 2 20 124 4.2 42 125 1.38 14 126 3.8 38 127 5.5 55 127.5 2.1 21 128 0.16 2 131 1.4 14 135 6.9 69 136 3.8 38 137 0.22 2 138 5.4 54 139 14.7 147 140 5.4 54 141 0.51 5 142 2 20 149 3.5 35 150 7.4 74 151 0.86 9 152 14.2 142 153 3.4 34 154 2 20 156 0.18 2 162 1.9 19 163 7.8 78 164 7.1 71 165 1.52 15 166 5.2 52 167 2 20 168 7.9 79 170 0.22 2 174 3.2 32 175 3.2 32 176 4.4 44 177 1.03 10 178 5.9 59 179 2.2 22 180 2 20 186 0.28 3 188 1.6 16 190 2.8 28 191 4.3 43 192 0.59 6 193 10 100 194 2.2 22 195 1.9 19 196 0.27 3 198 1.9 19 199 5.9 59 200 1.8 18 201 0.3 3 206 4.2 42 209 20.2 202 210 4.2 42 211 0.99 10 212 3.7 37 213 11.2 112 214 2.9 29 215 0.38 4 221 13.2 132 222 2.6 26 223 2.9 29 225 0.14 1 226 2.6 26 227 10.4 104 228 23.7 237 229 0.7 7 230 7.7 77 231 1.4 14 235 3.2 32 237 1.8 18 239 1.5 15 240 1.5 15 241 2 20 247 0.34 3 248 1.9 19 249 3.6 36 250 1.5 15 254 0.18 2 255 2 20 256 13.5 135 257 3 30 258 0.43 4 262 16 160 263 3.6 36 264 10.5 105 265 0.22 2 266 2 20 269 7.4 74 270 2.5 25 271 0.29 3 276 3.8 38 278 2.7 27 283 2.3 23 285 0.4 4 287 1.4 14 289 3.1 31 290 1.6 16 291 0.44 4 292 1.4 14 293 1.9 19 305 99.99 999 306 1.69 17 307 65.3 653 308 10.8 108 309 11.5 115 310 0.18 2 313 4.1 41 315 1.4 14 319 3.6 36 320 0.44 4 321 2.8 28 322 2.7 27 348 35 350 349 0.76 8 350 23.3 233 351 4.5 45 352 4.1 41 //