ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007188
RECORD_TITLE: ISOPENTYL 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$NAME: ISOPENTYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C10H20O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY UBLAMKHIFZBBSS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70174484

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$SPLASH: splash10-05g3-9000000000-f26ec4e2b9dccb224862
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 15.51 155
  29 23.89 239
  31 1.05 11
  39 10.07 101
  41 32.42 324
  42 11.93 119
  43 38.62 386
  44 1.28 13
  45 1.76 18
  53 1.73 17
  55 32.65 327
  56 5.45 55
  57 36.52 365
  58 1.69 17
  60 5.27 53
  61 1.04 10
  69 4.69 47
  70 99.99 999
  71 24.57 246
  72 1.28 13
  73 2.93 29
  85 65.11 651
  86 3.47 35
  87 1.12 11
  102 1.43 14
  103 14.21 142
  115 1.86 19
  129 2.41 24
  130 1.05 11
//