MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005895
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005895
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL PROPIONATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a4i-9000000000-0ec33489edf6c767e239
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
27 2.54 25
29 14.65 147
41 6.45 65
42 5.08 51
43 53.51 535
44 1.95 20
45 2.15 22
56 1.17 12
57 99.99 999
58 3.61 36
59 12.3 123
74 5.76 58
75 37.69 377
76 1.37 14
101 12.3 123
116 0.59 6
//