MassBank Record: JP001789



 CIS-9-OCTADECENOIC ACID BUTYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
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ACCESSION: JP001789
RECORD_TITLE: CIS-9-OCTADECENOIC ACID BUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: CIS-9-OCTADECENOIC ACID BUTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H42O2 CH$EXACT_MASS: 338.31848 CH$SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCCCC CH$IUPAC: InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0532-9510000000-dd143b124a3fc321e55d PK$NUM_PEAK: 133 PK$PEAK: m/z int. rel.int. 4 10.3 103 29 2.75 28 41 8.61 86 43 19.92 199 54 3.34 33 55 30.6 306 56 81.12 811 57 89.88 899 58 3.3 33 60 7.58 76 61 9.8 98 67 10.75 108 68 17.12 171 69 70.89 709 70 36.86 369 71 21.78 218 73 18.24 182 80 2.65 27 81 23.8 238 82 32.82 328 83 99.99 999 84 95.05 951 85 18.96 190 86 1.36 14 87 7.76 78 93 2.74 27 94 6.91 69 95 22.88 229 96 60.45 605 97 98.12 981 98 85.13 851 99 12.12 121 100 5.66 57 101 14.33 143 102 1.42 14 105 1.4 14 107 3.89 39 108 5.33 53 109 19.94 199 110 35.6 356 111 50.82 508 112 22.46 225 113 7.53 75 114 12.51 125 115 8.9 89 116 5.23 52 117 3.86 39 119 4.67 47 121 6.15 62 122 3.04 30 123 23.26 233 124 16.27 163 125 26.65 267 126 10.85 109 127 12.74 127 128 3.51 35 129 15.71 157 130 1.74 17 133 5.74 57 134 5.12 51 135 6.65 67 136 2.35 24 137 14.83 148 138 12.54 125 139 14.61 146 140 6.64 66 141 6.65 67 142 1.38 14 143 4.87 49 147 5.54 55 148 3.77 38 149 4.86 49 150 2.04 20 151 13.02 130 152 11.86 119 153 9.22 92 154 4.36 44 155 5.36 54 156 1.67 17 157 3.11 31 161 3.3 33 162 1.08 11 163 3.41 34 164 1.95 20 165 12.98 130 166 10.14 101 167 6.3 63 168 2.67 27 169 6.6 66 170 2.04 20 171 2.53 25 172 0.57 6 175 2.32 23 177 1.08 11 179 7.94 79 180 18.92 189 181 6.97 70 182 1.83 18 183 8.15 82 184 1.87 19 185 3.25 33 186 0.45 5 189 0.7 7 193 4.31 43 194 3.6 36 195 2.02 20 197 1.55 16 199 2.15 22 207 4.17 42 208 2.9 29 209 1.37 14 211 1.35 14 213 0.49 5 220 6.82 68 221 5.74 57 222 19.99 200 223 4.37 44 235 2.45 25 236 3.28 33 239 0.54 5 245 3.51 35 246 4.5 45 247 2.83 28 263 7.19 72 264 66.21 662 265 38.15 382 266 7.2 72 267 0.49 5 281 0.36 4 282 1.19 12 283 3.24 32 338 9.5 95 339 2.7 27 //