ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008563
RECORD_TITLE: 2-PENTYL BUTYRATE; 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$NAME: 2-PENTYL BUTYRATE
CH$NAME: 1-METHYLBUTYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O2
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCC(C)OC(=O)CCC
CH$IUPAC: InChI=1S/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY DJOCFLQKCMWABC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50866810
AC$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: splash10-00dl-9000000000-20b64b354a214dfa86bc
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 12.43 124
  29 8.11 81
  39 7.16 72
  40 1.09 11
  41 17.2 172
  42 10.2 102
  43 56.47 565
  44 1.83 18
  45 3.79 38
  55 12.19 122
  60 3.5 35
  70 21.84 218
  71 99.99 999
  72 4.3 43
  73 2.37 24
  87 2.82 28
  88 7.21 72
  89 13.63 136
  114 1.69 17
  115 10.91 109
//
