MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001204
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001204
RECORD_TITLE: ISOPENTYL 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$NAME: ISOPENTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.09938
CH$SMILES: CC(C)CCOC(C)=O
CH$IUPAC: InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY
MLFHJEHSLIIPHL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9025453
AC$INSTRUMENT: HITACHI RMU-6D
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00kf-9000000000-b39e66ca9f24f516c159
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
15 4.5 45
19 10 100
24 6.5 65
25 5.15 52
43 99.99 999
55 32.5 325
56 2.5 25
57 0.2 2
58 1 10
59 1 10
61 8.5 85
65 0.25 3
67 51.5 515
69 2.5 25
70 8.5 85
73 0.2 2
86 3 30
87 20.5 205
89 3 30
100 0.2 2
113 2 20
126 2 20
//