MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006947
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006947
RECORD_TITLE: ETHYL 2-FURYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 2-FURYL KETONE
CH$NAME: 2-PROPIONYLFURAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O2
CH$EXACT_MASS: 124.05243
CH$SMILES: CCC(=O)c(c1)occ1
CH$IUPAC: InChI=1S/C7H8O2/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3
CH$LINK: INCHIKEY
HCPORNAVHSWTOJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30185778
AC$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: splash10-0002-9100000000-d7c54af08048741a298f
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
26 2.21 22
27 10.5 105
29 7.56 76
37 3.18 32
38 7.96 80
39 25.75 258
41 1.37 14
51 1.87 19
53 1.73 17
55 1.32 13
57 1.25 13
67 2.85 29
68 1.17 12
95 99.99 999
96 5.6 56
124 22.77 228
125 1.45 15
//