MassBank Record: JP002667



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

ACCESSION: JP002667
RECORD_TITLE: METHYL TETRACOSANOATE; 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$NAME: METHYL TETRACOSANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C25H50O2 CH$EXACT_MASS: 382.38108 CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC CH$IUPAC: InChI=1S/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3
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$SPLASH: splash10-00di-9311000000-49a941ff39c1dfe81ed9 PK$NUM_PEAK: 58 PK$PEAK: m/z int. rel.int. 43 1.3 13 55 6 60 56 1.1 11 57 0.73 7 59 1.7 17 67 2.7 27 68 1.3 13 69 1.11 11 70 2.4 24 71 9.3 93 74 83.2 832 75 26.8 268 76 0.11 1 79 1 10 81 4.2 42 82 2.4 24 83 1.45 15 84 5.7 57 85 7.8 78 88 8.2 82 98 7.8 78 99 2.9 29 101 11.5 115 102 0.12 1 110 2.1 21 111 9.5 95 112 3 30 113 0.22 2 115 6.4 64 116 0.3 3 121 3.3 33 125 7 70 126 1.3 13 127 1.5 15 129 1.98 20 130 6.1 61 145 1 10 151 1.4 14 165 1 10 191 1.9 19 199 19.8 198 200 3.5 35 205 1 10 207 0.7 7 208 1.7 17 209 0.15 2 213 4.5 45 214 0.12 1 228 1.8 18 242 1.9 19 270 1.3 13 283 15.6 156 284 3.9 39 298 0.21 2 341 2.2 22 354 1.8 18 383 17.2 172 384 2.8 28 //