ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006500
RECORD_TITLE: ISOPENTYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ISOPENTYL BUTYRATE
CH$NAME: ISOAMYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY PQLMXFQTAMDXIZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3042059

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$SPLASH: splash10-00dl-9000000000-518fbdd189797b447c9e
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 1.41 14
  26 1.19 12
  27 26.07 261
  28 4.78 48
  29 13.28 133
  31 1.22 12
  39 14.49 145
  40 2.08 21
  41 36.15 362
  42 20.04 200
  43 92.98 930
  44 3.22 32
  45 2.5 25
  53 1.73 17
  54 1.11 11
  55 40.12 401
  56 2.18 22
  57 1.67 17
  60 2.75 28
  69 6.31 63
  70 99.99 999
  71 99.8 998
  72 3.74 37
  73 2.07 21
  85 1.21 12
  88 2.07 21
  89 17.95 180
  101 2.12 21
  115 5.77 58
//