MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001194
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001194
RECORD_TITLE: PROPYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: PROPYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10O2
CH$EXACT_MASS: 102.06808
CH$SMILES: CCCOC(C)=O
CH$IUPAC: InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
CH$LINK: INCHIKEY
YKYONYBAUNKHLG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6021901
AC$INSTRUMENT: HITACHI RMU-6D
AC$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$SPLASH: splash10-0006-9000000000-2129564a2393ddfe69d6
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
15 4.5 45
18 2 20
26 8 80
27 0.95 10
28 7 70
39 6 60
41 14 140
42 0.8 8
43 99.99 999
44 3 30
45 2 20
55 2.3 23
56 20 200
57 3 30
58 1 10
61 1.05 11
70 29 290
71 2 20
73 14 140
88 0.4 4
90 1 10
//