MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001493
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001493
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a6r-9000000000-8b9eac02d4e2e295503e
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
14 1.97 20
15 24.1 241
26 6.55 66
27 23.36 234
28 11.18 112
29 79.76 798
30 2.15 22
31 9.71 97
32 2.78 28
33 1.15 12
42 2.29 23
43 2.02 20
45 3.12 31
55 4.21 42
56 3.21 32
57 99.99 999
58 3.71 37
59 31.93 319
87 2.57 26
88 32.75 328
89 1.74 17
//