MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007326
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007326
RECORD_TITLE: ADIPIC ACID DIMETHYL 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$NAME: ADIPIC ACID DIMETHYL ESTER
CH$NAME: HEXANEDIOIC ACID DIMETHYL ESTER
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0ntc-9500000000-f9e3777f40aee78bcb58
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
14 1.45 15
15 74.49 745
26 4.11 41
27 30.78 308
28 25.31 253
29 25.58 256
30 1.57 16
31 7.62 76
32 1.73 17
33 1.29 13
38 1.05 11
39 19.93 199
40 3.34 33
41 41.22 412
42 17.16 172
43 52.74 527
44 3.46 35
45 9.11 91
51 1.6 16
53 6.36 64
54 13.91 139
55 83.51 835
56 13.02 130
57 6.69 67
58 3.34 33
59 84.92 849
60 3.22 32
68 6.16 62
69 13.12 131
70 1.05 11
71 6.81 68
72 11.8 118
73 44.52 445
74 66.77 668
75 2.9 29
81 2.09 21
82 11.94 119
83 32.19 322
84 4.15 42
85 1.09 11
86 1.37 14
87 20.62 206
88 5.68 57
97 5.43 54
99 2.98 30
100 4.67 47
101 99.99 999
102 5.8 58
110 4.8 48
111 78.68 787
112 5.8 58
113 2.54 25
114 91.89 919
115 25.23 252
116 2.05 21
142 26.23 262
143 82.12 821
144 6.85 69
//