MassBank Record: JP002671



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

ACCESSION: JP002671
RECORD_TITLE: METHYL 2-HYDROXYOCTADECANOATE; 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$NAME: METHYL 2-HYDROXYOCTADECANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H38O3 CH$EXACT_MASS: 314.28210 CH$SMILES: CCCCCCCCCCCCCCCCC(O)C(=O)OC CH$IUPAC: InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h18,20H,3-17H2,1-2H3
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$SPLASH: splash10-001i-9210000000-ead1180360b9ad57ac2f PK$NUM_PEAK: 73 PK$PEAK: m/z int. rel.int. 31 3.9 39 32 99.99 999 40 6.6 66 43 4.9 49 44 2.6 26 45 1.6 16 55 5.7 57 56 0.3 3 57 49.7 497 58 2 20 66 3 30 67 0.59 6 68 12.5 125 69 24.5 245 70 5.1 51 71 3.78 38 72 3 30 74 3.4 34 76 2 20 81 1.27 13 82 26.7 267 83 48.1 481 84 9.2 92 85 2.97 30 86 2.2 22 87 4.8 48 90 42.8 428 91 0.21 2 95 16.2 162 96 19.1 191 97 61.2 612 98 1.32 13 99 10.5 105 100 1.5 15 103 13.4 134 104 0.18 2 108 2.6 26 109 10 100 110 7.5 75 111 3.68 37 112 5.1 51 113 12.6 126 114 3.8 38 123 0.56 6 124 4.4 44 125 19.4 194 126 3 30 127 1.29 13 132 1.2 12 137 4.2 42 138 4.7 47 139 0.83 8 140 1.7 17 141 3.9 39 145 1.02 10 150 1.7 17 151 1.9 19 152 1.6 16 153 0.39 4 154 1.3 13 155 2.5 25 156 2.3 23 159 0.3 3 166 1.4 14 208 1.4 14 210 1.6 16 251 3.5 35 253 36.8 368 254 7.3 73 255 4.06 41 256 6.6 66 269 2.3 23 315 0.8 8 //