MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009019
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009019
RECORD_TITLE: DIBUTYL 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$NAME: DIBUTYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H26O4
CH$EXACT_MASS: 258.18311
CH$SMILES: CCCCOC(=O)CCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3
CH$LINK: CAS
105-99-7
CH$LINK: INCHIKEY
XTJFFFGAUHQWII-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021866
AC$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: splash10-0570-9800000000-3b60744c05ba28ab9a9e
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
26 1.44 14
27 19.1 191
28 13.74 137
29 55.97 560
30 1.4 14
31 2.86 29
39 11.45 115
40 1.96 20
41 61.23 612
42 9.52 95
43 18.97 190
44 1.71 17
45 3.45 35
53 2.34 23
54 3.33 33
55 58.88 589
56 49.31 493
57 42.57 426
58 2.44 24
59 8.72 87
60 8.28 83
61 3.02 30
68 1.88 19
69 3.36 34
73 11.04 110
74 1.61 16
82 1.41 14
83 19.96 200
84 7.75 78
85 1.83 18
87 34.3 343
88 1.47 15
99 2 20
100 25.87 259
101 35.84 358
102 4.99 50
103 1.5 15
110 1.86 19
111 54.01 540
112 8.44 84
128 3.02 30
129 98.7 987
130 6.94 69
143 26.84 268
144 1.94 19
156 27 270
157 3.41 34
158 2.53 25
184 1.75 18
185 99.99 999
186 10.48 105
187 1.27 13
203 2.02 20
//