MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006393
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006393
RECORD_TITLE: ISOBUTYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU 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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4i-9000000000-3034700b4ba8624cd760
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
26 1.56 16
27 10.05 101
29 27.64 276
30 1.35 14
31 2.32 23
39 4.32 43
41 11.87 119
42 2.05 21
43 3.74 37
55 1.92 19
56 29.3 293
57 99.99 999
58 3.55 36
71 2.61 26
73 2.31 23
74 1.5 15
75 6.66 67
87 8.94 89
//