MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006969
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006969
RECORD_TITLE: ISOBUTYL ISOBUTYRATE; 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$NAME: ISOBUTYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CC(C)COC(=O)C(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3
CH$LINK: INCHIKEY
RXGUIWHIADMCFC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6026612
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$SPLASH: splash10-0596-9000000000-cc0e2f654a9c0d39e1ad
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
15 1.52 15
26 1.35 14
27 21.71 217
28 3.98 40
29 19.76 198
31 1.57 16
39 15.87 159
40 2.42 24
41 45.44 454
42 8.92 89
43 91.71 917
44 3.24 32
55 4.3 43
56 45.68 457
57 38.49 385
58 1.41 14
70 2.18 22
71 99.99 999
72 4.66 47
73 4.51 45
88 1.65 17
89 24.48 245
90 1.09 11
101 6.42 64
//