MassBank Record: JP002176



 TRANS-2-BUTENE-1,4-DICARBOXYLIC ACID DIMETHYL ESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002176
RECORD_TITLE: TRANS-2-BUTENE-1,4-DICARBOXYLIC ACID DIMETHYL ESTER; 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$NAME: TRANS-2-BUTENE-1,4-DICARBOXYLIC ACID DIMETHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H12O4 CH$EXACT_MASS: 172.07356 CH$SMILES: COC(=O)CC=CCC(=O)OC CH$IUPAC: InChI=1S/C8H12O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-4H,5-6H2,1-2H3/b4-3+
AC$INSTRUMENT: JEOL JMS-01-SG AC$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$SPLASH: splash10-0a4l-9600000000-44e4fd3fc9889abd1c39 PK$NUM_PEAK: 54 PK$PEAK: m/z int. rel.int. 37 0.9 9 38 2.3 23 39 21.2 212 40 0.14 1 41 39.4 394 42 3.7 37 43 3.7 37 44 0.04 0 49 0.4 4 50 3 30 51 4.9 49 52 0.44 4 53 24 240 54 26.8 268 55 10.9 109 59 99.99 999 60 1.4 14 67 1.8 18 68 3.5 35 69 0.53 5 71 37.6 376 72 6.3 63 74 1.6 16 75 0.07 1 79 0.7 7 80 5.1 51 81 22.8 228 82 0.46 5 83 1.4 14 84 0.9 9 85 3.9 39 86 0.09 1 87 1.1 11 97 5.3 53 98 4.2 42 99 0.28 3 101 3.5 35 108 75.7 757 109 4.2 42 111 0.3 3 112 15.8 158 113 45.5 455 114 3.9 39 127 0.14 1 130 2.5 25 131 0.7 7 140 85.9 859 141 1.44 14 142 1.6 16 149 0.4 4 155 1.1 11 157 0.07 1 172 2.3 23 173 0.4 4 //