MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010602
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010602
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0007-9000000000-531654f4fa36b964bf32
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
26 6.5 65
27 8 80
28 2.2 22
29 0.28 3
31 1.9 19
39 16.7 167
40 2.2 22
41 99.99 999
42 6.2 62
43 3.1 31
45 1.5 15
53 0.15 2
54 6.8 68
55 4.3 43
56 1.2 12
57 0.77 8
58 1.2 12
67 2.2 22
69 1.5 15
71 0.19 2
80 2.5 25
81 1.2 12
82 3.7 37
83 0.15 2
98 1.5 15
99 52 520
100 3.4 34
122 0.12 1
139 5.9 59
140 7.1 71
//
system version 2.2.6-SNAPSHOT