MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005174
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005174
RECORD_TITLE: ISOPENTYL 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$NAME: ISOPENTYL ACETATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00dl-9000000000-6eb9d62df8623ee92ac6
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
28 1.82 18
29 2.3 23
41 4.43 44
42 14.97 150
43 89.84 898
44 2.35 24
45 2.2 22
55 46.14 461
56 4.17 42
57 4.01 40
58 2.95 30
61 15.08 151
69 7.32 73
70 99.99 999
71 6.47 65
72 3.42 34
73 17.22 172
74 3.37 34
85 2.24 22
87 13.37 134
88 2.46 25
115 1.07 11
130 0.91 9
//