MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006521
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006521
RECORD_TITLE: BUTYL ISOPENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: BUTYL ISOPENTANOATE
CH$NAME: BUTYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O2
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCOC(=O)CC(C)C
CH$IUPAC: InChI=1S/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY
AYWJSCLAAPJZEF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9047621
AC$INSTRUMENT: HITACHI M-80B
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: splash10-0a4u-9000000000-8dd1d91769ff865eda84
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
15 2.25 23
26 1.89 19
27 31.83 318
29 55.94 559
30 1.25 13
31 2.56 26
39 24.71 247
41 77.56 776
42 15.09 151
43 26.24 262
44 1.19 12
45 5.1 51
53 1.6 16
55 12.72 127
56 91.42 914
57 99.99 999
58 4.32 43
59 7.17 72
60 30.95 310
61 13.02 130
69 2.39 24
73 1.29 13
85 92.22 922
86 5.42 54
87 17.71 177
101 2.72 27
102 2.87 29
103 50.44 504
104 2.29 23
115 1.73 17
116 3.04 30
//
system version 2.2.8-SNAPSHOT