MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008552
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008552
RECORD_TITLE: DIISOBUTYL CARBINYL ACETATE; 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$NAME: DIISOBUTYL CARBINYL ACETATE
CH$NAME: 1-(2-METHYLPROPYL)-3-METHYLBUTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O2
CH$EXACT_MASS: 186.16198
CH$SMILES: CC(C)CC(CC(C)C)OC(C)=O
CH$IUPAC: InChI=1S/C11H22O2/c1-8(2)6-11(7-9(3)4)13-10(5)12/h8-9,11H,6-7H2,1-5H3
CH$LINK: INCHIKEY
XLJDNKNPKUBQMX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6051516
AC$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: splash10-0006-9100000000-6e37007092ffa9442bb0
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
15 1.37 14
18 1.59 16
27 3.92 39
29 4.2 42
39 3.03 30
41 12.19 122
42 2.34 23
43 99.99 999
44 3.1 31
45 1.29 13
55 6.58 66
56 11.28 113
57 6.76 68
58 2.02 20
59 1.16 12
61 1.43 14
67 1.3 13
68 1.35 14
69 20.43 204
70 6.23 62
71 2.77 28
83 2.56 26
84 1.18 12
85 2.18 22
86 1.23 12
87 1 10
98 1.27 13
101 1.5 15
111 1.84 18
126 5.03 50
129 16.58 166
130 1.03 10
//