MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005299
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005299
RECORD_TITLE: ETHYL ISOVALERATE; 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$NAME: ETHYL ISOVALERATE
CH$NAME: 3-METHYLBUTANOIC ACID ETHYL ESTER
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: INCHIKEY
PPXUHEORWJQRHJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3047057
AC$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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-002r-9000000000-2e5a458a237911c47c6a
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
15 4.17 42
26 2.14 21
27 24.77 248
28 4.69 47
29 67.12 671
30 1.39 14
31 1.85 19
38 1.1 11
39 14.68 147
40 2.55 26
41 37.12 371
42 8.58 86
43 22.96 230
44 1.33 13
45 18.45 185
53 1.27 13
55 5.56 56
56 7.19 72
57 62.3 623
58 2.9 29
59 13.57 136
60 43.45 435
61 24.31 243
69 3.54 35
70 15.72 157
71 1.22 12
73 6.26 63
85 68.08 681
86 4 40
87 12.29 123
88 99.99 999
89 4.87 49
101 1.39 14
103 4.23 42
115 10.32 103
130 4.93 49
//