ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003517
RECORD_TITLE: METHYL 2-O-CHLOROBENZOYL-4-CHLORO-N-METHYLOXALONILATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2-O-CHLOROBENZOYL-4-CHLORO-N-METHYLOXALONILATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₃Cl₂NO₄
CH$EXACT_MASS: 365.02216
CH$SMILES: COC(=O)C(=O)N(C)c(c2)c(cc(Cl)c2)C(=O)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C17H13Cl2NO4/c1-20(16(22)17(23)24-2)14-8-7-10(18)9-12(14)15(21)11-5-3-4-6-13(11)19/h3-9H,1-2H3
CH$LINK: INCHIKEY HRMRDHIZIZBJTI-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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-056r-6976000000-e54852721ec67c34cd01
PK$NUM_PEAK: 156
PK$PEAK: m/z int. rel.int.
  36 1.6 16
  43 4.9 49
  44 3.8 38
  45 22.6 226
  56 4.2 42
  57 11.6 116
  58 2.2 22
  60 1.23 12
  61 2.3 23
  67 2.3 23
  68 2.4 24
  69 1.78 18
  70 5.5 55
  71 8.8 88
  72 1.8 18
  73 0.46 5
  81 31 310
  82 9.1 91
  83 10.9 109
  84 0.55 6
  85 5.6 56
  86 2.8 28
  87 2.7 27
  90 0.23 2
  91 2 20
  92 1.9 19
  93 4.1 41
  94 0.63 6
  95 13.9 139
  96 6.5 65
  97 7.5 75
  98 0.39 4
  99 3.4 34
  105 3.2 32
  107 6.8 68
  108 0.34 3
  109 10.4 104
  110 4.4 44
  111 7 70
  112 0.49 5
  113 5.7 57
  115 2.3 23
  119 5 50
  120 0.27 3
  121 9.8 98
  122 4.7 47
  123 11.4 114
  124 0.41 4
  125 5.1 51
  126 2.1 21
  127 3.9 39
  129 0.48 5
  130 4 40
  133 3.3 33
  134 4.5 45
  135 0.88 9
  136 17.3 173
  137 11.7 117
  138 3.1 31
  139 4.77 48
  140 5.4 54
  141 21.8 218
  142 2.1 21
  143 0.21 2
  145 2.9 29
  147 5.5 55
  148 3.1 31
  149 1.8 18
  150 4.1 41
  151 3.6 36
  152 2.5 25
  155 0.39 4
  157 2.9 29
  158 2 20
  159 2.9 29
  161 0.55 6
  162 2.8 28
  163 3.7 37
  165 1.8 18
  166 0.61 6
  167 11.5 115
  168 3.3 33
  169 3.2 32
  171 0.29 3
  173 2 20
  175 3.4 34
  176 2.3 23
  177 0.29 3
  178 2.5 25
  179 2.3 23
  180 2.3 23
  183 0.25 3
  185 3.8 38
  186 6.3 63
  187 2.1 21
  189 0.3 3
  191 3.4 34
  192 4 40
  193 2 20
  196 0.18 2
  197 4.2 42
  198 2 20
  199 2.9 29
  200 0.2 2
  203 4.1 41
  204 1.9 19
  208 2.3 23
  210 0.37 4
  214 2.1 21
  215 2 20
  217 1.9 19
  218 0.2 2
  219 2.3 23
  223 1.8 18
  226 99.99 999
  227 1.23 12
  228 33.4 334
  229 5.9 59
  231 2.4 24
  236 0.19 2
  242 3.9 39
  243 5.5 55
  244 4.7 47
  245 2.2 22
  246 2.2 22
  255 1.9 19
  256 2.2 22
  257 0.18 2
  262 6.1 61
  263 2 20
  264 4 40
  270 1.45 15
  271 2.6 26
  272 4.9 49
  278 11.4 114
  279 0.67 7
  280 7.3 73
  281 3 30
  282 2.2 22
  283 0.22 2
  290 2.2 22
  306 75.6 756
  307 14.1 141
  308 5.27 53
  309 8.9 89
  310 9.1 91
  318 3.1 31
  320 0.23 2
  330 22.2 222
  331 3.6 36
  332 7.1 71
  365 2.7 27
  366 5.6 56
  367 17.1 171
  368 3.6 36
  369 2.7 27
//