MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006213
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006213
RECORD_TITLE: ETHYL DECANOATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H24O2
CH$EXACT_MASS: 200.17763
CH$SMILES: CCCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
CH$LINK: INCHIKEY
RGXWDWUGBIJHDO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0044363
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0udi-1290000000-37975ad9cde087e040df
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
84 1.13 11
88 15.61 156
89 2.45 25
101 5.76 58
115 1.13 11
153 4.03 40
155 6.9 69
157 1.91 19
173 1.31 13
199 6.77 68
200 3.54 35
201 99.99 999
202 13.26 133
203 1.37 14
//