ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006520
RECORD_TITLE: ISOPROPYL ISOPENTANOATE; 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$NAME: ISOPROPYL ISOPENTANOATE
CH$NAME: ISOPROPYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CC(C)CC(=O)OC(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-6(2)5-8(9)10-7(3)4/h6-7H,5H2,1-4H3
CH$LINK: INCHIKEY ZOIRKXLFEHOVER-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6067707

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$SPLASH: splash10-052o-9100000000-69318c84256abc619c08
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 4.38 44
  26 1.2 12
  27 27.1 271
  29 14.87 149
  31 1.73 17
  38 1.24 12
  39 24.76 248
  40 2.6 26
  41 59.39 594
  42 18.61 186
  43 99.99 999
  44 3.7 37
  45 7.09 71
  55 3.99 40
  56 5.7 57
  57 64.19 642
  58 3.14 31
  59 27.69 277
  60 69.32 693
  61 10.4 104
  69 2.94 29
  85 89.17 892
  86 5.05 51
  87 20.55 206
  101 1.12 11
  102 34.43 344
  103 33.5 335
  104 1.55 16
  129 4.08 41
//