MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001497
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001497
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9000000000-696dd19162629b887c12
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
15 1.09 11
26 1.27 13
27 10.69 107
28 4.15 42
29 34.47 345
31 2.55 26
39 4.22 42
41 1.51 15
43 4.43 44
55 2.29 23
56 36.1 361
57 99.99 999
58 3.78 38
71 3.75 38
73 2.86 29
74 1.72 17
75 9.32 93
87 10.42 104
100 1.36 14
//