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
//