MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005898
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005898
RECORD_TITLE: ISOBUTYL PROPIONATE; 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$NAME: ISOBUTYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.09938
CH$SMILES: CCC(=O)OCC(C)C
CH$IUPAC: InChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY
FZXRXKLUIMKDEL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8060240
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$SPLASH: splash10-0a4i-9000000000-60240572ee92c5e157f9
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
29 13.86 139
41 6.43 64
43 2.41 24
55 1.2 12
56 43.37 434
57 99.99 999
58 3.61 36
71 4.62 46
73 3.11 31
74 2.11 21
75 10.64 106
87 12.75 128
88 1.2 12
100 1.71 17
//