MassBank Record: JP009018



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

ACCESSION: JP009018
RECORD_TITLE: DIALLYL ADIPATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: DIALLYL ADIPATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H18O4 CH$EXACT_MASS: 226.12051 CH$SMILES: C=CCOC(=O)CCCCC(=O)OCC=C CH$IUPAC: InChI=1S/C12H18O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-4H,1-2,5-10H2 CH$LINK: CAS 2998-04-1 CH$LINK: INCHIKEY FPODCVUTIPDRTE-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80B AC$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$SPLASH: splash10-01ox-9500000000-eef5608754f745558d0f PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 29 8.32 83 30 1.06 11 31 4.52 45 38 1.61 16 39 25.56 256 40 1.22 12 41 99.99 999 42 7.76 78 43 9.1 91 44 1.52 15 45 1.1 11 53 1.57 16 54 1.83 18 55 34.7 347 56 8.95 90 57 14.7 147 58 3.96 40 59 3.92 39 67 2.24 22 68 1.48 15 69 2.17 22 71 1 10 79 1.09 11 80 1.78 18 81 11.77 118 82 1.21 12 83 12.59 126 84 8.15 82 85 4.7 47 95 4.33 43 99 6.39 64 100 4.94 49 101 10.17 102 109 1.54 15 111 63.69 637 112 16.48 165 113 4.38 44 127 6.27 63 129 7.28 73 140 3.75 38 141 6.35 64 142 1.47 15 153 7.23 72 168 1.39 14 169 29.8 298 170 3.41 34 //