MassBank Record: JP002666



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

ACCESSION: JP002666
RECORD_TITLE: METHYL DOCOSANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL DOCOSANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C23H46O2 CH$EXACT_MASS: 354.34978 CH$SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OC CH$IUPAC: InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3
AC$INSTRUMENT: SHIMADZU LKB-9000B AC$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$SPLASH: splash10-000i-9623000000-d9723fa66129f73c20c4 PK$NUM_PEAK: 75 PK$PEAK: m/z int. rel.int. 59 1.8 18 67 2.1 21 68 1.3 13 69 1.05 11 70 2.4 24 71 7.2 72 73 2.4 24 74 8.68 87 75 24.8 248 82 2.1 21 83 13.9 139 84 5.6 56 85 0.62 6 87 99.99 999 88 8.2 82 95 4.4 44 96 2.1 21 97 16.4 164 98 0.76 8 99 2.5 25 101 12.4 124 102 0.14 1 111 9.3 93 112 2.8 28 113 1.6 16 115 0.63 6 116 2.9 29 123 3.4 34 124 1.4 14 125 7 70 126 0.11 1 127 1.5 15 129 21.4 214 130 0.58 6 139 4.8 48 144 7.2 72 163 2 20 165 1.1 11 167 0.29 3 171 5.4 54 172 1.9 19 177 1.6 16 181 0.22 2 185 15.8 158 186 3.9 39 191 1.7 17 193 0.1 1 195 1.7 17 199 26.9 269 200 4.5 45 205 0.14 1 207 2.2 22 214 0.19 2 223 1.3 13 227 5.9 59 228 0.14 1 255 25.8 258 256 0.52 5 269 12.9 129 270 0.27 3 283 3.7 37 284 1.1 11 297 8.5 85 298 0.27 3 313 1.9 19 320 1.2 12 321 0.13 1 323 17.1 171 324 4.1 41 325 12.5 125 326 0.33 3 354 8.42 84 355 21.3 213 356 3.2 32 357 0.3 3 //