MassBank Record: JP002672



 METHYL 2-HYDROXYEICOSANOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002672
RECORD_TITLE: METHYL 2-HYDROXYEICOSANOATE; 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$NAME: METHYL 2-HYDROXYEICOSANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H42O3 CH$EXACT_MASS: 342.31340 CH$SMILES: CCCCCCCCCCCCCCCCCCC(O)C(=O)OC CH$IUPAC: InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(23)24-2/h20,22H,3-19H2,1-2H3
AC$INSTRUMENT: SHIMADZU LKB-9000B AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000t-9410000000-c773fde877b7ffcee51b PK$NUM_PEAK: 86 PK$PEAK: m/z int. rel.int. 43 5.3 53 44 2.2 22 45 1.1 11 54 0.1 1 55 5.6 56 56 3.1 31 57 63.6 636 58 0.36 4 67 7.2 72 68 17.2 172 69 33.3 333 70 0.7 7 71 53.6 536 72 4.3 43 73 1.3 13 74 0.51 5 75 1.5 15 76 4.2 42 83 79.6 796 84 11 110 85 41.6 416 86 0.38 4 87 7.6 76 88 1.7 17 89 1.8 18 90 8.03 80 91 3.3 33 95 17.5 175 96 29.2 292 97 99.99 999 98 1.98 20 99 19.6 196 100 3.1 31 101 0.28 3 103 24.7 247 104 0.22 2 111 64.2 642 112 9.2 92 113 20.7 207 114 0.82 8 115 1.7 17 122 1.2 12 123 8.9 89 124 7.3 73 125 3.47 35 126 4 40 127 25.1 251 128 3.2 32 129 0.25 3 138 7.4 74 139 14.9 149 140 2.5 25 141 0.75 8 142 2 20 143 1.6 16 145 21.2 212 146 0.22 2 151 2.7 27 152 2.7 27 153 8.2 82 154 0.14 1 155 2.2 22 156 6.2 62 157 0.14 1 159 6.2 62 166 1.1 11 167 5.4 54 168 1.1 11 169 0.23 2 170 2.4 24 181 2.8 28 182 1.2 12 183 2.1 21 196 1.4 14 197 0.1 1 222 0.1 1 264 6.6 66 265 0.19 2 280 1.4 14 281 28.2 282 282 7 70 283 5.94 59 284 12.2 122 285 0.14 1 297 3.6 36 344 1.5 15 //