MassBank Record: JP002668



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

ACCESSION: JP002668
RECORD_TITLE: METHYL 2-HYDROXYDODECANOATE; 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$NAME: METHYL 2-HYDROXYDODECANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H26O3 CH$EXACT_MASS: 230.18819 CH$SMILES: CCCCCCCCCCC(O)C(=O)OC CH$IUPAC: InChI=1S/C13H26O3/c1-3-4-5-6-7-8-9-10-11-12(14)13(15)16-2/h12,14H,3-11H2,1-2H3
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$SPLASH: splash10-0592-9400000000-2465a6f827801195cb9c PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 44 0.24 2 55 18.5 185 56 3.4 34 57 32 320 58 0.15 2 68 4.4 44 69 42.3 423 70 5 50 71 3.01 30 72 2 20 76 0.35 4 84 7.9 79 85 12.7 127 86 1.2 12 87 0.47 5 96 5.8 58 97 99.99 999 98 9.3 93 99 0.17 2 100 1.4 14 101 1.5 15 104 0.14 1 109 3.2 32 110 2.3 23 111 26.9 269 112 0.26 3 113 7.3 73 114 0.26 3 124 2.4 24 125 1.9 19 126 3.4 34 127 1.02 10 128 0.1 1 138 1.7 17 159 1.2 12 171 60.5 605 172 0.74 7 185 0.33 3 230 2.9 29 231 0.4 4 //