MassBank Record: JP000809



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

ACCESSION: JP000809
RECORD_TITLE: 13-DOCOSENOIC ACID METHYL ESTER; 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$NAME: 13-DOCOSENOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C23H44O2 CH$EXACT_MASS: 352.33413 CH$SMILES: CCCCCCCCC=CCCCCCCCCCCCC(=O)OC CH$IUPAC: InChI=1S/C23H44O2/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/h10-11H,3-9,12-22H2,1-2H3/b11-10+ CH$LINK: CAS 56630-69-4
AC$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: splash10-05oa-9100000000-f949821101f79ca25028 PK$NUM_PEAK: 153 PK$PEAK: m/z int. rel.int. 36 4.2 42 37 4.7 47 38 1.2 12 39 8.4 84 41 5.13 51 42 4.6 46 43 34.1 341 44 3.8 38 45 1.1 11 47 33.9 339 48 15.7 157 49 11.6 116 50 4.9 49 51 1 10 52 1.2 12 53 6.5 65 54 13 130 55 44.8 448 56 7.2 72 57 21.4 214 58 0.8 8 59 11.7 117 60 0.3 3 61 0.3 3 63 0.3 3 65 3.8 38 66 3 30 67 28.1 281 68 11.3 113 69 35.8 358 70 9.9 99 71 8.3 83 72 0.8 8 73 1.1 11 74 27.5 275 75 4.5 45 77 5.2 52 78 2.4 24 79 17.5 175 80 9.9 99 81 20.8 208 82 10.8 108 83 99.99 999 84 1.52 15 85 69.5 695 86 0.6 6 87 20.5 205 88 1.8 18 89 0.4 4 91 9 90 92 2.7 27 93 9.8 98 94 5.2 52 95 16.2 162 96 17 170 97 23.4 234 98 13.4 134 102 0.7 7 103 0.6 6 104 0.7 7 105 4.4 44 106 3.8 38 107 4.6 46 108 3.4 34 109 8.2 82 110 8.2 82 111 10.5 105 112 3.1 31 113 1.5 15 114 1.7 17 115 4 40 116 0.7 7 117 1.6 16 118 1 10 119 3.2 32 120 1.6 16 121 3.7 37 122 1.3 13 123 6.2 62 124 3.9 39 125 5.2 52 126 1.6 16 127 1.4 14 128 1.8 18 129 2.1 21 130 0.6 6 131 1.2 12 133 2.6 26 134 1.7 17 135 3.5 35 136 1.2 12 137 3.5 35 138 3.1 31 139 3.4 34 140 0.4 4 141 3.2 32 142 0.7 7 143 1.3 13 147 1.6 16 148 1 10 149 1.7 17 150 1.7 17 151 2.4 24 152 2.8 28 153 2.3 23 154 0.3 3 155 0.4 4 157 0.7 7 161 0.9 9 162 0.3 3 163 1.3 13 165 0.7 7 166 1.5 15 167 1.3 13 169 0.3 3 171 0.6 6 175 0.9 9 177 0.6 6 179 0.8 8 180 1.6 16 181 0.5 5 182 0.4 4 187 0.3 3 189 0.3 3 193 0.3 3 194 1.1 11 195 0.6 6 197 0.3 3 203 0.3 3 207 0.6 6 208 0.8 8 220 0.3 3 221 0.6 6 222 1.2 12 235 0.4 4 236 3 30 237 0.3 3 249 0.6 6 250 0.6 6 263 0.5 5 264 0.5 5 276 0.6 6 277 1 10 278 2.9 29 279 0.5 5 289 0.4 4 291 0.4 4 292 0.3 3 302 0.4 4 320 14.4 144 321 6.5 65 322 1 10 352 0.9 9 //