MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008049
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008049
RECORD_TITLE: BUTYRIC ACID VINYL ESTER; 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$NAME: BUTYRIC ACID VINYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O2
CH$EXACT_MASS: 114.06808
CH$SMILES: CCCC(=O)OC=C
CH$IUPAC: InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H3
CH$LINK: INCHIKEY
MEGHWIAOTJPCHQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0074556
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$SPLASH: splash10-006x-9000000000-e55416de3835ca0fadcc
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
27 9.06 91
29 1.74 17
41 17.87 179
42 3.23 32
43 99.99 999
44 5.96 60
45 1 10
55 2.48 25
57 14.02 140
60 1.36 14
69 1.24 12
70 1 10
71 69.6 696
72 3.1 31
73 1 10
99 2.36 24
114 3.47 35
//
system version 2.2.6-SNAPSHOT