ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006703
RECORD_TITLE: METHYL D(-)-3-HYDROXYHEXADECANOATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: METHYL D(-)-3-HYDROXYHEXADECANOATE
CH$NAME: BETA-HYDROXYPALMITIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₄O₃
CH$EXACT_MASS: 286.25079
CH$SMILES: CCCCCCCCCCCCCC(O)CC(=O)OC
CH$IUPAC: InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20-2/h16,18H,3-15H2,1-2H3
CH$LINK: INCHIKEY YBTWUESFQWFDMR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20966210

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-00kr-2290000000-8fdd638e3dddd57440e1
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  75 49.7 497
  103 47.9 479
  269 75.9 759
  270 1.5 15
  287 99.99 999
  288 21.6 216
//