MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001314
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001314
RECORD_TITLE: ACETIC ACID ISOPROPENYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ACETIC ACID ISOPROPENYL ESTER
CH$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-7M
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: splash10-0006-9000000000-128dcfaeaaf8ba85fe02
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
14 1.29 13
15 6.08 61
27 2.09 21
28 1.11 11
29 1.6 16
38 1.11 11
39 5.53 55
40 1 10
41 7.01 70
42 3.87 39
43 99.99 999
44 2.21 22
57 2.46 25
58 16.04 160
72 7.34 73
100 4.43 44
//