MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005165
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005165
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL ACETATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9000000000-68aba8c5eadea9fb01e2
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
27 2.18 22
41 6.38 64
42 7.99 80
43 99.99 999
44 2.7 27
45 2.87 29
59 13.91 139
61 37.13 371
62 0.98 10
87 19.14 191
88 0.97 10
102 0.86 9
//