MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006198
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006198
RECORD_TITLE: TRIETHYL CITRATE; 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$NAME: TRIETHYL CITRATE
CH$NAME: CITRIC ACID TRIETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O7
CH$EXACT_MASS: 276.12090
CH$SMILES: CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC
CH$IUPAC: InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3
CH$LINK: INCHIKEY
DOOTYTYQINUNNV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0040701
AC$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: splash10-004i-0190000000-7b8558c43641df82df60
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
115 3.43 34
157 13.84 138
158 1.07 11
197 1.67 17
203 19.27 193
204 1.94 19
213 1.11 11
231 10.43 104
232 1.3 13
243 3.62 36
276 99.99 999
278 14.09 141
279 2.61 26
//
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