ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007187
RECORD_TITLE: PENTYL 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$NAME: PENTYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₂
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCOC(=O)CCCC
CH$IUPAC: InChI=1S/C10H20O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-9H2,1-2H3
CH$LINK: COMPTOX DTXSID8042218
CH$LINK: INCHIKEY FGPPDYNPZTUNIU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:62433

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$SPLASH: splash10-0kif-9100000000-276cac5b0e38b79730e7
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  26 1.78 18
  27 30.09 301
  29 53.23 532
  30 1.4 14
  31 2.06 21
  39 16.29 163
  41 57.3 573
  42 34.42 344
  43 57.35 574
  44 1.66 17
  45 2.49 25
  53 2.1 21
  54 1.3 13
  55 36.55 366
  56 7.17 72
  57 62.32 623
  58 2.99 30
  59 1.39 14
  60 19.75 198
  61 10.67 107
  69 7.58 76
  70 91.9 919
  71 14.31 143
  73 14.58 146
  74 1.2 12
  75 3.06 31
  83 1.16 12
  84 1.02 10
  85 99.99 999
  86 5.62 56
  87 2.32 23
  100 1.08 11
  101 1.08 11
  102 5.44 54
  103 82.79 828
  104 3.23 32
  115 3.24 32
  130 2.3 23
//