MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004943
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004943
RECORD_TITLE: ETHYL ISOVALERATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.09938
CH$SMILES: CCOC(=O)CC(C)C
CH$IUPAC: InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3
CH$LINK: CAS
108-64-5
CH$LINK: INCHIKEY
PPXUHEORWJQRHJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3047057
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-000i-9000000000-131dee797c5fc67efffb
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
40 22.87 229
42 11.53 115
43 29.99 300
44 1.6 16
45 19.2 192
53 1.05 11
55 5.59 56
56 8.71 87
57 66.79 668
58 2.84 28
59 13.69 137
60 47.89 479
61 26.98 270
69 4.35 44
70 20.3 203
71 1.59 16
73 9.07 91
83 1.2 12
84 1.04 10
85 78.31 783
86 4.6 46
87 14.12 141
88 99.99 999
89 5.14 51
101 1.39 14
103 4.69 47
115 10.33 103
130 1.65 17
//