MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009013
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009013
RECORD_TITLE: DIMETHYL ADIPATE; 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$NAME: DIMETHYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O4
CH$EXACT_MASS: 174.08921
CH$SMILES: COC(=O)CCCCC(=O)OC
CH$IUPAC: InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3
CH$LINK: CAS
627-93-0
CH$LINK: INCHIKEY
UDSFAEKRVUSQDD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8025096
AC$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: splash10-08fu-9700000000-533cdf131d0e41342a94
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
15 4.18 42
26 1.41 14
27 7.83 78
29 9.88 99
30 1.39 14
31 5.65 57
39 8.12 81
41 22.15 222
42 13.95 140
43 24.56 246
44 1.2 12
45 5.08 51
51 1 10
53 4.17 42
54 6.94 69
55 66.47 665
56 7.72 77
57 3.61 36
58 1.4 14
59 92.4 924
60 2.87 29
68 3.63 36
69 7.49 75
71 4.2 42
72 7 70
73 33.37 334
74 48.2 482
75 1.77 18
81 1.47 15
82 8 80
83 25.05 251
84 2.37 24
85 1.24 12
87 16.74 167
88 3.2 32
97 4.52 45
99 2.61 26
100 2.83 28
101 79.83 798
102 3.67 37
110 3.6 36
111 72.51 725
112 4.47 45
113 2.24 22
114 99.99 999
115 23.7 237
116 1.57 16
142 17.35 174
143 70.19 702
144 4.49 45
//
system version 2.2.6-SNAPSHOT