MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005976
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005976
RECORD_TITLE: ISOPROPYL PROPIONATE; CI-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$NAME: ISOPROPYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373
CH$SMILES: CCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3
CH$LINK: INCHIKEY
IJMWOMHMDSDKGK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6060927
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-004i-9000000000-c215e1594aaa04bcc5ab
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
74 9.06 91
75 99.99 999
76 3.24 32
101 8.26 83
117 2.91 29
//