MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003383
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003383
RECORD_TITLE: DIMETHYL ADIPATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
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$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0kfx-8900000000-55876dab8f079343657f
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
46 8.5 85
53 6.7 67
54 62.1 621
55 8.5 85
56 3.8 38
57 2.7 27
58 77.7 777
59 0.25 3
68 3.8 38
69 8.3 83
71 6.7 67
72 0.83 8
73 33.3 333
74 45.7 457
75 2 20
81 0.24 2
82 11.5 115
83 33.6 336
84 3.3 33
87 1.21 12
88 3.6 36
97 9.2 92
99 2.4 24
100 0.39 4
101 53.8 538
102 3.8 38
110 3.2 32
111 5.53 55
112 4.1 41
113 4.1 41
114 71.2 712
115 2.52 25
129 2 20
142 43.4 434
143 99.99 999
144 0.94 9
175 69.6 696
176 5.5 55
//
system version 2.2.6-SNAPSHOT