ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006495
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL BUTYRATE
CH$NAME: 1-METHYLETHYL 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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-6cf9a61263b7ec9813f9
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 2.81 28
  26 1.46 15
  27 21.07 211
  28 2.43 24
  29 3.69 37
  39 11.78 118
  40 1.47 15
  41 24.91 249
  42 11.8 118
  43 99.99 999
  44 3.65 37
  45 3.33 33
  55 1.18 12
  59 11.68 117
  60 11.91 119
  71 62.44 624
  72 3.02 30
  73 5.71 57
  88 9.88 99
  89 23.31 233
  102 1.84 18
  115 4.13 41
//