MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001205
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001205
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-9000000000-25e59405f21ad74bf82d
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
17 8 80
18 2 20
27 99.99 999
29 1.75 18
39 2 20
40 2.5 25
41 10 100
43 5.7 57
44 3.5 35
45 2 20
55 30.5 305
56 0.2 2
57 2.5 25
61 10 100
66 4 40
67 6.45 65
68 3.5 35
69 2 20
70 11 110
71 0.25 3
86 2 20
88 9 90
90 2 20
98 0.15 2
102 2 20
114 2.5 25
127 2 20
//