MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009165
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009165
RECORD_TITLE: S-PROPYL THIOACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: S-PROPYL THIOACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10OS
CH$EXACT_MASS: 118.04524
CH$SMILES: CCCSC(C)=O
CH$IUPAC: InChI=1S/C5H10OS/c1-3-4-7-5(2)6/h3-4H2,1-2H3
CH$LINK: INCHIKEY
SBWFWBJCYMBZEY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30177638
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$SPLASH: splash10-0006-9000000000-9d59c00678babcad2e23
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
15 3.56 36
27 6.71 67
29 1.2 12
39 5.68 57
41 8.46 85
42 6.84 68
43 99.99 999
44 2.1 21
45 5.43 54
46 2.4 24
47 5.75 58
58 1.46 15
59 1.55 16
61 1.13 11
74 3.58 36
75 2.48 25
76 3.39 34
77 3.17 32
118 11.82 118
//
system version 2.2.6-SNAPSHOT