MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010621
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010621
RECORD_TITLE: DIALLYL MALEATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: DIALLYL MALEATE
CH$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$LINK: INCHIKEY
ZPOLOEWJWXZUSP-WAYWQWQTSA-N
CH$LINK: COMPTOX
DTXSID3044752
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0007-9100000000-9eb61cb0129adba39f13
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
27 2.1 21
28 1.3 13
29 1.7 17
39 0.21 2
41 99.99 999
42 7.1 71
43 6.3 63
44 0.13 1
54 3.4 34
55 4.2 42
56 2.5 25
57 1.18 12
58 1.7 17
67 4.2 42
68 1.7 17
69 0.29 3
70 1.7 17
71 1.7 17
80 5 50
81 0.25 3
82 6.3 63
83 2.9 29
97 2.1 21
98 0.29 3
99 98.7 987
100 6.3 63
121 1.3 13
122 0.25 3
139 11.3 113
140 14.7 147
141 1.7 17
142 1.3 13
//
system version 2.2.6-SNAPSHOT