MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006705
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006705
RECORD_TITLE: METHYL 3-ACETOXYHEXADECANOATE; 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$NAME: METHYL 3-ACETOXYHEXADECANOATE
CH$NAME: BETA-ACETOXYPALMITIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H36O4
CH$EXACT_MASS: 328.26136
CH$SMILES: CCCCCCCCCCCCCC(OC(C)=O)CC(=O)OC
CH$IUPAC: InChI=1S/C19H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(23-17(2)20)16-19(21)22-3/h18H,4-16H2,1-3H3
CH$LINK: INCHIKEY
LNSKNBASLYLDGC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00797488
AC$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: splash10-016r-0097000000-869fb035377aae25e016
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
269 99.99 999
270 20.8 208
329 77.1 771
330 17.6 176
//