MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001197
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001197
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10O2
CH$EXACT_MASS: 102.06808
CH$SMILES: CC(C)OC(C)=O
CH$IUPAC: InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
CH$LINK: INCHIKEY
JMMWKPVZQRWMSS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2025478
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$SPLASH: splash10-0006-9000000000-3c1bf63a96986c62713a
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
18 2 20
26 1 10
27 2.5 25
30 0.15 2
41 6 60
42 8 80
43 99.99 999
44 0.2 2
45 2 20
59 10 100
60 3 30
61 4.2 42
62 1 10
70 2.5 25
86 23 230
87 0.1 1
101 1 10
102 2 20
//