MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009241
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009241
RECORD_TITLE: ALLYL 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$NAME: ALLYL 2,4-HEXADIENOATE
CH$NAME: ALLYL SORBATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12O2
CH$EXACT_MASS: 152.08373
CH$SMILES: CC=CC=CC(=O)OCC=C
CH$IUPAC: InChI=1S/C9H12O2/c1-3-5-6-7-9(10)11-8-4-2/h3-7H,2,8H2,1H3/b5-3+,7-6+
CH$LINK: INCHIKEY
CVNZYQJBZIJLCL-TWTPFVCWSA-N
CH$LINK: COMPTOX
DTXSID90884391
AC$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: splash10-014v-9100000000-e91fdbb9ce14515b74d7
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
26 2.4 24
27 12 120
29 3.8 38
37 0.14 1
38 6.4 64
39 56.2 562
41 82.4 824
42 0.25 3
43 11.8 118
50 1.8 18
51 4.8 48
52 0.23 2
53 2.7 27
54 1 10
55 9.1 91
57 0.18 2
62 1.2 12
63 2.7 27
65 16.1 161
66 1.23 12
67 70.7 707
68 21.1 211
69 3 30
77 0.17 2
79 8.9 89
80 2.6 26
81 4.9 49
82 0.16 2
83 6.6 66
84 1.6 16
85 1 10
91 0.33 3
93 7.2 72
94 2.1 21
95 99.99 999
96 0.85 9
97 6.4 64
107 7.5 75
109 1.4 14
110 0.13 1
111 6.2 62
123 1.3 13
137 13.7 137
138 0.1 1
152 27 270
153 2.3 23
//