MassBank Record: JP002190



 CIS-5-EICOSENOIC ACID METHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
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ACCESSION: JP002190
RECORD_TITLE: CIS-5-EICOSENOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: CIS-5-EICOSENOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H40O2 CH$EXACT_MASS: 324.30283 CH$SMILES: CCCCCCCCCCCCCCC=CCCCC(=O)OC CH$IUPAC: InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h16-17H,3-15,18-20H2,1-2H3/b17-16-
AC$INSTRUMENT: JEOL JMS-01-SG AC$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$SPLASH: splash10-05o1-9310000000-a6697956cb8bd50b7101 PK$NUM_PEAK: 157 PK$PEAK: m/z int. rel.int. 43 5.3 53 47 2.2 22 48 0.7 7 52 0.07 1 53 7.6 76 54 27.4 274 55 99.99 999 56 1.9 19 57 50.3 503 58 1.5 15 61 1.5 15 62 0.22 2 64 0.7 7 65 6.1 61 66 0.7 7 67 6.94 69 68 56.4 564 69 60.3 603 70 19 190 71 2.06 21 72 0.7 7 74 83.9 839 75 17.5 175 77 0.15 2 78 5.3 53 79 17.5 175 80 16 160 81 6.48 65 82 47.3 473 83 69.4 694 84 69.4 694 85 2.21 22 87 32.8 328 88 6.1 61 91 4.5 45 92 0.3 3 93 4.5 45 94 10.6 106 95 37.4 374 96 9.08 91 97 71.7 717 98 47.3 473 99 9.9 99 101 0.91 9 102 0.7 7 105 3.8 38 107 6.1 61 108 0.61 6 109 29.7 297 110 38.1 381 111 37.4 374 112 1.29 13 113 3.8 38 114 7.6 76 115 6.8 68 116 0.15 2 118 3.8 38 119 4.5 45 120 0.7 7 121 1.06 11 122 3 30 123 24.4 244 124 18.3 183 125 1.67 17 126 1.5 15 127 6.8 68 128 6.8 68 129 0.76 8 130 1.5 15 131 1.5 15 132 3 30 133 0.3 3 134 10.6 106 135 9.9 99 136 0.7 7 137 1.22 12 138 12.2 122 139 6.8 68 140 1.5 15 141 1.37 14 142 0.7 7 143 3 30 144 3.8 38 147 0.22 2 148 9.1 91 149 4.5 45 150 0.7 7 151 1.06 11 152 14.5 145 153 4.5 45 155 3 30 157 0.15 2 161 0.7 7 162 3.8 38 163 1.5 15 164 0.38 4 165 4.5 45 166 7.6 76 167 1.5 15 169 0.3 3 172 1.5 15 173 3.8 38 176 3.8 38 177 0.15 2 179 3 30 180 3 30 181 2.2 22 182 0.3 3 187 4.5 45 191 0.7 7 194 10.6 106 196 0.3 3 199 3.8 38 203 0.7 7 204 0.7 7 205 0.07 1 206 3 30 207 3.8 38 208 14.5 145 210 0.3 3 211 0.7 7 214 0.7 7 219 0.7 7 220 0.15 2 221 5.3 53 222 4.5 45 224 2.2 22 225 0.22 2 227 3 30 228 2.2 22 235 0.7 7 236 0.38 4 237 2.2 22 241 3 30 242 0.7 7 248 0.61 6 249 6.8 68 250 22.9 229 251 6.1 61 252 0.07 1 253 1.5 15 255 0.7 7 256 0.7 7 260 0.07 1 262 0.7 7 264 3.8 38 267 2.2 22 274 0.45 5 275 7.6 76 277 0.7 7 278 1.5 15 283 0.07 1 292 35.1 351 293 12.2 122 294 2.2 22 324 0.45 5 325 0.7 7 //