MassBank Record: JP009237



 ETHYL 2,4-HEXADIENOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP009237
RECORD_TITLE: ETHYL 2,4-HEXADIENOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 2,4-HEXADIENOATE CH$NAME: ETHYL SORBATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H12O2 CH$EXACT_MASS: 140.08373 CH$SMILES: CC=CC=CC(=O)OCC CH$IUPAC: InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+ CH$LINK: INCHIKEY OZZYKXXGCOLLLO-TWTPFVCWSA-N CH$LINK: COMPTOX DTXSID80883712
AC$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: splash10-014j-9000000000-9a19a8aabe4950080f4a PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 15 2.9 29 26 3.9 39 27 26.9 269 29 1.66 17 30 1.3 13 31 1.4 14 37 1.3 13 38 0.52 5 39 53.3 533 41 60.1 601 42 3 30 43 1.12 11 45 2.2 22 50 2.6 26 51 5.4 54 52 0.37 4 53 3.3 33 55 7.9 79 56 1.4 14 58 0.1 1 62 1.6 16 63 3.6 36 64 1.2 12 65 1.86 19 66 25.2 252 67 99.99 999 68 10.9 109 69 0.36 4 70 1.2 12 79 1.4 14 81 2.7 27 83 0.32 3 84 3.6 36 93 1.3 13 94 2.5 25 95 9.6 96 96 6.2 62 97 73.4 734 98 3.6 36 111 0.57 6 112 9 90 125 28 280 126 2.2 22 140 4.01 40 141 3.3 33 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)