MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007225
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007225
RECORD_TITLE: ETHYL VALERATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCCC(=O)OCC
CH$IUPAC: InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY
ICMAFTSLXCXHRK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6040161
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$SPLASH: splash10-002r-9000000000-909ffa0990cafcc628c8
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
15 2.74 27
26 4.88 49
27 44.18 442
28 18.59 186
29 94.44 944
30 2.24 22
31 2.66 27
38 1.23 12
39 16.4 164
40 1.98 20
41 43.73 437
42 12.45 125
43 13.93 139
44 1.51 15
45 20.12 201
51 1.02 10
53 2.3 23
55 15.95 160
56 10.89 109
57 67.19 672
58 3.1 31
59 2.16 22
60 46.01 460
61 23.51 235
70 17.27 173
73 25.23 252
74 2.48 25
83 1.85 19
84 1.22 12
85 88.36 884
86 4.15 42
87 2.32 23
88 99.99 999
89 3.66 37
101 24.8 248
102 2.76 28
103 7.16 72
115 1.88 19
130 1.89 19
//