MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001831
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001831
RECORD_TITLE: HEXANEDIOIC ACID DIMETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: HEXANEDIOIC ACID DIMETHYL ESTER
CH$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: HITACHI RMU-7M
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: splash10-0btc-9400000000-ff42d8fa8b333380c410
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
15 18.7 187
27 11 110
28 10.32 103
29 11.68 117
31 2.79 28
39 10.83 108
41 29.78 298
42 17.6 176
43 40.44 404
44 2.12 21
45 6.35 64
53 3.29 33
54 8.88 89
55 76.9 769
56 9.22 92
57 3.98 40
59 99.99 999
60 2.12 21
68 2.62 26
69 6.77 68
71 3.21 32
72 6.43 64
73 24.53 245
74 35.19 352
82 8.97 90
83 20.22 202
84 1.44 14
87 9.22 92
88 1.61 16
97 2.7 27
101 48.9 489
102 2.2 22
110 1.95 20
111 51.27 513
112 3.38 34
114 58.38 584
115 12.52 125
142 10.07 101
143 47.29 473
144 3.38 34
//
system version 2.2.8-SNAPSHOT