MassBank Record: JP001832



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

ACCESSION: JP001832
RECORD_TITLE: PENTANEDIOIC ACID DIMETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PENTANEDIOIC ACID DIMETHYL ESTER CH$NAME: DIMETHYL GLUTARATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H12O4 CH$EXACT_MASS: 160.07356 CH$SMILES: COC(=O)CCCC(=O)OC CH$IUPAC: InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3
AC$INSTRUMENT: HITACHI RMU-7M AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0pdi-9500000000-01e4dd415a934e49db00 PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 15 26.73 267 27 7.66 77 28 2.71 27 29 8.05 81 31 3.04 30 39 9.64 96 40 2.18 22 41 21.58 216 42 24.09 241 43 16.44 164 44 1.32 13 45 3.3 33 49 1.32 13 55 43.56 436 56 3.17 32 58 7.66 77 59 99.99 999 60 2.77 28 68 2.51 25 69 5.61 56 70 2.57 26 71 1.19 12 72 5.87 59 73 1.19 12 74 10.76 108 85 5.21 52 87 21.32 213 88 1.72 17 97 8.71 87 99 1.45 15 100 73.93 739 101 52.41 524 102 3.1 31 111 1 10 114 1.19 12 115 1.06 11 128 27.52 275 129 52.48 525 130 3.56 36 //