MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006076
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006076
RECORD_TITLE: CITRIC ACID TRIETHYL ESTER; EI-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$NAME: CITRIC ACID TRIETHYL ESTER
CH$NAME: TRIETHYL CITRATE
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$INSTRUMENT_TYPE: EI-B
AC$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: splash10-0a4i-0910000000-9ead4713599bcc551b12
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
43 1.75 18
87 1.88 19
88 1.3 13
111 4.52 45
115 24.66 247
116 1.47 15
129 3.88 39
130 2.52 25
139 1.98 20
157 99.99 999
158 8.25 83
159 1.09 11
185 1.26 13
203 22.77 228
204 2.34 23
213 1.95 20
276 0.34 3
//