MassBank Record: JP003323



 BUTYL 9-OCTADECENOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
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ACCESSION: JP003323
RECORD_TITLE: BUTYL 9-OCTADECENOATE; 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$NAME: BUTYL 9-OCTADECENOATE CH$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$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0pb9-9210000000-d0f86c15359e4d529b8d PK$NUM_PEAK: 89 PK$PEAK: m/z int. rel.int. 43 54.4 544 45 2.4 24 53 6.1 61 54 99.99 999 55 93.1 931 56 94.7 947 57 3 30 59 1.25 13 60 7.8 78 67 33.4 334 68 17.6 176 69 6.08 61 70 19.1 191 71 14.2 142 73 15.3 153 79 0.85 9 80 5.7 57 81 28.9 289 82 17.9 179 83 4.76 48 84 25.8 258 85 9.1 91 87 5.1 51 91 0.27 3 93 5.2 52 94 5.5 55 95 20.8 208 96 2.22 22 97 37.9 379 98 30.1 301 99 5.2 52 101 0.85 9 107 4.3 43 108 3.8 38 109 12.8 128 110 1.33 13 111 19.8 198 112 8.9 89 113 3.2 32 114 0.47 5 115 5.4 54 116 6.3 63 117 4.3 43 119 0.27 3 121 4.9 49 123 10.9 109 124 7.1 71 125 0.99 10 126 3.8 38 127 4.7 47 133 3 30 135 0.49 5 137 7.8 78 138 6 60 139 6 60 147 0.27 3 149 3.4 34 151 6.5 65 152 7.7 77 153 0.54 5 165 5.1 51 166 5.1 51 167 3.4 34 169 0.3 3 171 2.9 29 179 3.7 37 180 8.8 88 181 0.3 3 183 4.3 43 185 4 40 193 2.7 27 194 0.38 4 220 4.1 41 221 2.9 29 222 9.2 92 223 0.29 3 236 5.4 54 237 3.7 37 239 3.5 35 246 0.29 3 257 5.8 58 263 4.7 47 264 34.5 345 265 2.61 26 266 4.3 43 283 2.4 24 312 3.5 35 338 0.88 9 339 4.3 43 //