MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009016
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009016
RECORD_TITLE: DIISOPROPYL 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$NAME: DIISOPROPYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O4
CH$EXACT_MASS: 230.15181
CH$SMILES: CC(C)OC(=O)CCCCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3
CH$LINK: INCHIKEY
ZDQWESQEGGJUCH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5027641
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$SPLASH: splash10-004i-5900000000-94c538c8026f18458559
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
27 4.19 42
29 1.8 18
39 4.05 41
41 16.46 165
42 6.18 62
43 37.78 378
44 1.02 10
45 9.7 97
55 20.94 209
56 3.77 38
57 1.25 13
58 1.11 11
59 8.18 82
60 6.25 63
69 2.22 22
73 10.78 108
74 1.11 11
83 10.01 100
84 3.46 35
87 16.41 164
100 25.58 256
101 17.26 173
102 13.91 139
103 1.43 14
111 21.02 210
112 2.72 27
128 17.75 178
129 99.99 999
130 6.16 62
142 9.41 94
144 2.46 25
146 2.73 27
147 1.6 16
170 2.19 22
171 29.51 295
172 2.33 23
188 2.07 21
//