MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001729
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001729
RECORD_TITLE: 2-ACETYLOXY-1,2,3-PROPANETRICARBOXYLIC ACID TRIBUTYL ESTER; 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$NAME: 2-ACETYLOXY-1,2,3-PROPANETRICARBOXYLIC ACID TRIBUTYL ESTER
CH$NAME: ACETYL TRIBUTYL CITRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H34O8
CH$EXACT_MASS: 402.22537
CH$SMILES: CCCCOC(=O)CC(OC(C)=O)(CC(=O)OCCCC)C(=O)OCCCC
CH$IUPAC: InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3
CH$LINK: INCHIKEY
QZCLKYGREBVARF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2026446
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0ufr-2159500000-62a9419892ec76844eb8
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
61 16.43 164
63 4.37 44
65 8.28 83
66 12.72 127
67 3.95 40
69 0.43 4
83 2.43 24
85 2.79 28
129 5.83 58
157 10.42 104
159 2.99 30
185 17.18 172
213 16.84 168
215 5.06 51
259 26.25 263
269 26.6 266
271 13.97 140
273 14.01 140
329 95.56 956
330 16.99 170
343 19.3 193
345 16.95 170
361 30.82 308
362 4.7 47
403 99.99 999
404 21.54 215
//