MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001195
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001195
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00kf-9000000000-eeea11594f16f50df38a
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
18 1.5 15
26 1.5 15
41 6 60
42 1 10
43 99.99 999
44 2 20
45 1 10
55 3.2 32
56 41 410
57 6 60
58 2 20
61 1.25 13
68 4 40
69 68.5 685
70 7 70
71 2.9 29
79 1.5 15
97 2 20
101 1.5 15
//
system version 2.2.6-SNAPSHOT