MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005900
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005900
RECORD_TITLE: METHYL 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$NAME: METHYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8O2
CH$EXACT_MASS: 88.05243
CH$SMILES: CCC(=O)OC
CH$IUPAC: InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
CH$LINK: INCHIKEY
RJUFJBKOKNCXHH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7027201
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$SPLASH: splash10-0a4i-9000000000-c8ee07cbb804d96a4c7d
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
27 2.39 24
28 4.78 48
29 53.43 534
30 1.49 15
31 5.37 54
32 2.39 24
43 0.9 9
45 1.49 15
55 2.1 21
56 2.69 27
57 99.99 999
58 3.88 39
59 28.95 290
60 1.19 12
87 2.39 24
88 37.01 370
89 1.49 15
//