MassBank Record: JP002732



 METHYL 15-TETRACOSENOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002732
RECORD_TITLE: METHYL 15-TETRACOSENOATE; 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$NAME: METHYL 15-TETRACOSENOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C25H48O2 CH$EXACT_MASS: 380.36543 CH$SMILES: CCCCCCCCC=CCCCCCCCCCCCCCC(=O)OC CH$IUPAC: InChI=1S/C25H48O2/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/h10-11H,3-9,12-24H2,1-2H3/b11-10+
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$SPLASH: splash10-0k9t-9400000000-cf1a06fe1d40502f1a37 PK$NUM_PEAK: 114 PK$PEAK: m/z int. rel.int. 30 3.2 32 31 20.4 204 32 99.99 999 33 0.4 4 38 1.8 18 39 2.1 21 41 9.1 91 42 1.08 11 43 25.4 254 44 9.8 98 45 81.3 813 46 0.28 3 47 1.9 19 51 0.1 1 52 1.7 17 53 0.24 2 54 1.8 18 55 52 520 56 81.4 814 57 0.93 9 58 8.2 82 59 4.2 42 60 1.7 17 61 0.11 1 63 1.7 17 64 1.6 16 67 2.9 29 68 0.25 3 69 3.8 38 70 13.6 136 71 5 50 72 0.15 2 73 23.3 233 74 3 30 75 13.5 135 76 0.78 8 77 1.2 12 79 2 20 80 2 20 81 0.18 2 82 2.5 25 83 2 20 84 6.3 63 85 0.2 2 86 5.6 56 87 7.6 76 88 1.9 19 89 0.44 4 91 3.1 31 93 2 20 94 1.8 18 95 0.26 3 96 1.8 18 97 2.5 25 98 3 30 99 9.48 95 100 69.9 699 101 48.1 481 102 5.8 58 103 0.17 2 104 0.3 3 105 0.2 2 107 0.4 4 108 0.02 0 109 1.6 16 110 1.7 17 111 0.7 7 112 0.02 0 113 0.3 3 114 8.1 81 115 2.7 27 117 0.22 2 119 0.2 2 126 11.2 112 127 4.6 46 128 0.4 4 129 0.8 8 130 1.1 11 131 0.6 6 133 0.08 1 135 1.6 16 142 1.6 16 143 1.6 16 144 0.02 0 145 85.1 851 146 6.4 64 147 2.4 24 158 0.67 7 159 4.7 47 160 2.5 25 170 1.7 17 171 0.46 5 172 2.6 26 173 0.4 4 187 1.1 11 188 0.03 0 189 12.4 124 190 1.3 13 201 0.6 6 203 0.09 1 207 0.3 3 215 6.7 67 219 0.2 2 231 0.4 4 233 7 70 234 0.07 1 259 0.7 7 270 0.9 9 289 2.8 28 290 0.23 2 333 12.6 126 334 2.1 21 335 0.1 1 348 1.7 17 //