MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007332
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007332
RECORD_TITLE: ADIPIC ACID DIALLYL ESTER; 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$NAME: ADIPIC ACID DIALLYL ESTER
CH$NAME: HEXANEDIOIC ACID DI-2-PROPENYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18O4
CH$EXACT_MASS: 226.12051
CH$SMILES: C=CCOC(=O)CCCCC(=O)OCC=C
CH$IUPAC: InChI=1S/C12H18O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-4H,1-2,5-10H2
CH$LINK: CAS
2998-04-1
CH$LINK: INCHIKEY
FPODCVUTIPDRTE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0062763
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$SPLASH: splash10-06r6-9500000000-6b1cdc739a4549b86b11
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
15 1.8 18
26 1.17 12
27 8.26 83
28 8.81 88
29 8.14 81
31 1.78 18
39 19.22 192
40 2.97 30
41 99.99 999
42 4.96 50
43 9.5 95
53 1.51 15
54 2.19 22
55 25.48 255
56 5.25 53
57 7.19 72
58 1.76 18
59 4.17 42
67 2.77 28
68 1.51 15
69 2.75 28
71 1.17 12
79 1.17 12
80 2.68 27
81 10.72 107
82 1.16 12
83 12.65 127
84 7.74 77
85 3.67 37
95 3.85 39
98 1.37 14
99 5.63 56
100 5.49 55
101 10.58 106
109 1.65 17
111 61.62 616
112 3.93 39
123 1.16 12
127 7 70
129 10.03 100
130 4.03 40
131 6.2 62
132 2.22 22
143 8.2 82
158 2.85 29
159 35.75 358
160 3.77 38
161 1.01 10
175 1.07 11
//