MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005297
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005297
RECORD_TITLE: ETHYL VALERATE; 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$NAME: ETHYL VALERATE
CH$NAME: PENTANOIC ACID ETHYL ESTER
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 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-9000000000-0f14f9667756ca3a3845
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
15 3.54 35
26 3.81 38
27 35.22 352
28 15.17 152
29 96.6 966
30 2.32 23
31 2.51 25
39 11.35 114
40 1.4 14
41 38.02 380
42 7.63 76
43 9.68 97
44 1.77 18
46 20.1 201
53 1.67 17
55 9.49 95
56 6.14 61
57 71.98 720
58 3.26 33
59 2.33 23
60 45.79 458
61 24.29 243
70 17.03 170
73 24.19 242
74 2.88 29
75 1.02 10
83 1.86 19
84 1.39 14
85 86.32 863
86 4.83 48
87 2.79 28
88 99.99 999
89 4.56 46
101 24.01 240
102 3.45 35
103 8.84 88
115 2.14 21
130 2.79 28
//