ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002546
RECORD_TITLE: ISOPROPYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ISOPROPYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY FFOPEPMHKILNIT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5075288

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-006x-9000000000-b1225eb54077c992b141
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 3.25 33
  26 1.18 12
  27 17.36 174
  28 3.22 32
  29 1.9 19
  31 1.3 13
  39 8.13 81
  40 1.39 14
  41 21.77 218
  42 9.05 91
  43 99.99 999
  44 3.31 33
  45 3.34 33
  55 1.3 13
  59 13.66 137
  60 14.27 143
  71 71.39 714
  72 3.2 32
  73 6.41 64
  88 11.87 119
  89 27.93 279
  90 1.3 13
  102 3.11 31
  115 6.79 68
  130 1.01 10
//