MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006967
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006967
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL ISOBUTYRATE
CH$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 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: splash10-0006-9000000000-5c39f457ab2fbfc2aa2a
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
15 1.41 14
18 1.35 14
27 10.33 103
29 1.19 12
39 5.8 58
40 1.25 13
41 20.15 202
42 6.08 61
43 99.99 999
44 3.52 35
45 5.34 53
59 4.11 41
71 33.63 336
72 1.57 16
73 1.86 19
88 1.84 18
89 13.67 137
115 3.03 30
//