MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005917
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005917
RECORD_TITLE: BUTYL 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$NAME: BUTYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY
JSLCOZYBKYHZNL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9073888
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0abl-9000000000-c63b585334d9efe57448
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
27 1.15 12
29 12.03 120
41 21.78 218
42 3.72 37
43 64.76 648
44 2.29 23
55 6.02 60
56 66.76 668
57 47.85 479
58 2.01 20
70 1.15 12
71 99.99 999
72 4.87 49
73 4.3 43
88 4.87 49
89 97.13 971
90 4.58 46
101 7.74 77
//