MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003578
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003578
RECORD_TITLE: DIMETHYL ADIPATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$LINK: INCHIKEY
UDSFAEKRVUSQDD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8025096
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0bt9-9200000000-64a124ca503b64075ea6
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
13 5.59 56
15 71.05 711
18 5.32 53
26 2.88 29
27 22.23 222
28 86.66 867
29 28.63 286
31 6.14 61
32 16.77 168
39 13.26 133
40 3.58 36
41 30.33 303
42 19.3 193
43 32.82 328
44 5.71 57
45 8.3 83
53 4.39 44
54 9.25 93
55 76.13 761
56 12.01 120
57 4.6 46
59 99.99 999
60 3.69 37
68 3.43 34
69 7.33 73
71 3.98 40
72 7.18 72
73 25.78 258
74 34.75 348
82 8.86 89
83 17.28 173
84 2.79 28
86 2 20
87 10.87 109
88 2.97 30
97 3.59 36
99 2.1 21
100 2.29 23
101 51.12 511
102 3.1 31
110 2.33 23
111 42.6 426
112 3.27 33
114 53.02 530
115 15.86 159
142 9.76 98
143 37.62 376
144 3.17 32
//
system version 2.2.6-SNAPSHOT