MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009000
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009000
RECORD_TITLE: DIALLYL FUMARATE; 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$NAME: DIALLYL FUMARATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O4
CH$EXACT_MASS: 196.07356
CH$SMILES: C=CCOC(=O)C=CC(=O)OCC=C
CH$IUPAC: InChI=1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2/b6-5+
CH$LINK: CAS
2807-54-7
CH$LINK: INCHIKEY
ZPOLOEWJWXZUSP-AATRIKPKSA-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$SPLASH: splash10-000i-9400000000-19036641226a4176d0bc
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
26 5.33 53
27 7.93 79
28 14.46 145
29 5.54 55
30 1.09 11
31 2.4 24
37 1.31 13
38 2.32 23
39 25.87 259
41 58.82 588
42 2.41 24
43 1.87 19
45 1.67 17
53 5.34 53
54 10.58 106
55 39.8 398
56 4.87 49
57 13.96 140
58 2.72 27
65 4.57 46
66 1.67 17
67 9.63 96
68 1.33 13
69 2.07 21
71 1.83 18
81 3.07 31
82 10.11 101
83 8.88 89
93 3.43 34
97 3.05 31
98 1.15 12
99 35.87 359
100 2 20
109 1.5 15
111 35.72 357
112 2.8 28
127 1.53 15
138 1.5 15
139 99.99 999
140 7.02 70
151 1.98 20
196 2.27 23
//
system version 2.2.6-SNAPSHOT