MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002524
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002524
RECORD_TITLE: ISOPROPENYL ACETATE; 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$NAME: ISOPROPENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8O2
CH$EXACT_MASS: 100.05243
CH$SMILES: CC(=C)OC(C)=O
CH$IUPAC: InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
CH$LINK: INCHIKEY
HETCEOQFVDFGSY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3031492
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$SPLASH: splash10-0006-9000000000-7f1e98b1755aee7accaa
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
14 1.99 20
15 8.29 83
26 1.36 14
27 3.2 32
29 1.68 17
38 1.4 14
39 6.67 67
40 1.3 13
41 8.01 80
42 4.5 45
43 99.99 999
44 2.1 21
57 2.42 24
58 16.82 168
72 6.84 68
100 5.36 54
//