MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005911
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005911
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.09938
CH$SMILES: CC(C)OC(=O)C(C)C
CH$IUPAC: InChI=1S/C7H14O2/c1-5(2)7(8)9-6(3)4/h5-6H,1-4H3
CH$LINK: INCHIKEY
WVRPFQGZHKZCEB-UHFFFAOYSA-N
AC$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: splash10-0076-9000000000-2fb4fb658bb2f0112cf0
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
27 2.91 29
31 1.45 15
41 9.09 91
42 13.33 133
43 99.99 999
44 3.51 35
57 1.57 16
59 5.09 51
71 77.45 775
72 3.64 36
73 3.88 39
88 3.15 32
89 69.45 695
90 3.57 36
101 5.09 51
//
system version 2.2.8-SNAPSHOT