MassBank Record: JP002670



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

ACCESSION: JP002670
RECORD_TITLE: METHYL 2-HYDROXYHEXADECANOATE; 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$NAME: METHYL 2-HYDROXYHEXADECANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H34O3 CH$EXACT_MASS: 286.25079 CH$SMILES: CCCCCCCCCCCCCCC(O)C(=O)OC CH$IUPAC: InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20-2/h16,18H,3-15H2,1-2H3
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$SPLASH: splash10-003s-9310000000-7f85bc3728d4e9312d7a PK$NUM_PEAK: 100 PK$PEAK: m/z int. rel.int. 31 4.8 48 32 80.8 808 40 3.9 39 43 11.1 111 44 2.1 21 45 1.8 18 54 1.5 15 55 1.08 11 56 3.6 36 57 68.7 687 58 4 40 61 0.28 3 66 3.2 32 67 9 90 68 11 110 69 5.33 53 70 7.5 75 71 54.4 544 72 4.1 41 74 0.37 4 76 4.4 44 80 2.3 23 81 13.6 136 82 2.78 28 83 89.6 896 84 12.5 125 85 34.9 349 86 0.28 3 87 7.3 73 88 1.2 12 89 2 20 90 7.09 71 91 3 30 92 1.2 12 93 1 10 94 0.3 3 95 19.4 194 96 19.2 192 97 99.99 999 98 1.77 18 99 10.2 102 100 2.8 28 101 2 20 103 2.38 24 104 2.1 21 110 7.3 73 111 57.6 576 112 8.6 86 113 1.5 15 114 5.2 52 115 1.5 15 121 1.8 18 122 0.15 2 123 6.9 69 124 5.5 55 125 30.5 305 126 0.54 5 127 21.6 216 128 3 30 129 1.6 16 132 0.24 2 135 1.8 18 136 1 10 137 4.7 47 138 0.66 7 139 12 120 140 3.3 33 141 6.1 61 142 0.11 1 143 1.5 15 145 16.5 165 146 0.11 1 151 2.6 26 152 2.7 27 153 5 50 154 0.11 1 155 1.3 13 156 4.3 43 159 3.9 39 165 0.11 1 169 1.6 16 170 2.1 21 171 1.4 14 180 0.23 2 182 3.3 33 183 1.2 12 197 1.2 12 199 0.2 2 207 1.1 11 208 3.8 38 223 3.4 34 225 39.7 397 226 6.3 63 227 7.23 72 228 12.8 128 229 1 10 241 6.1 61 254 0.17 2 286 21.3 213 287 3.4 34 //