MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009237
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009237
RECORD_TITLE: ETHYL 2,4-HEXADIENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 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
//