MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009236
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009236
RECORD_TITLE: METHYL 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$NAME: METHYL 2,4-HEXADIENOATE
CH$NAME: METHYL SORBATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H10O2
CH$EXACT_MASS: 126.06808
CH$SMILES: CC=CC=CC(=O)OC
CH$IUPAC: InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+
CH$LINK: INCHIKEY
KWKVAGQCDSHWFK-VNKDHWASSA-N
CH$LINK: COMPTOX
DTXSID30862370
AC$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: splash10-014i-9100000000-6c402f3f828ad7813f02
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
15 15.6 156
26 3 30
27 13.4 134
29 0.94 9
30 1.8 18
31 2.4 24
37 2.5 25
38 1.03 10
39 63.9 639
41 63.8 638
42 2.6 26
43 0.45 5
45 1.1 11
50 3.8 38
51 9.1 91
52 0.3 3
53 5.3 53
54 1 10
55 9.6 96
59 0.89 9
61 1.4 14
62 2.7 27
63 7.1 71
64 0.15 2
65 23.8 238
66 32.8 328
67 99.99 999
68 0.8 8
69 1.4 14
72 2.7 27
79 2 20
81 0.19 2
83 5.3 53
85 1 10
93 1.8 18
94 0.23 2
95 63.6 636
96 4.6 46
97 2.1 21
111 7.79 78
112 5.5 55
125 3.6 36
126 43.2 432
127 3 30
//
system version 2.2.8-SNAPSHOT