MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002559
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002559
RECORD_TITLE: ISOBUTYL ISOBUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0596-9000000000-fb563351fb63b4833e24
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
15 1.51 15
26 1.11 11
27 15.98 160
28 3.71 37
29 17.79 178
31 1.74 17
39 9.58 96
40 1.99 20
41 34.33 343
42 6.48 65
43 85.76 858
44 2.73 27
55 3.06 31
56 53.21 532
57 38.29 383
58 1.69 17
70 2.87 29
71 99.99 999
72 4.8 48
73 3.37 34
88 2.37 24
89 28.88 289
90 1.42 14
101 7.78 78
//