MassBank Record: JP003331



 TRIETHYL CITRATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003331
RECORD_TITLE: TRIETHYL CITRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

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
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-1920000000-f7c884b67f54e12797d9 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 45 3.2 32 55 3.7 37 59 4.1 41 69 4.6 46 84 3.6 36 87 6.4 64 88 3.7 37 111 0.69 7 115 29.2 292 129 5.5 55 130 3.9 39 139 0.27 3 157 99.99 999 158 6.5 65 203 33.7 337 204 0.34 3 277 3.4 34 //