ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006966
RECORD_TITLE: PROPYL ISOBUTYRATE; 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$NAME: PROPYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3
CH$LINK: COMPTOX DTXSID30214653
CH$LINK: INCHIKEY AZFUASHXSOTBNU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12571

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$SPLASH: splash10-0006-9000000000-360dc434f089103e8062
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 1.6 16
  26 1.72 17
  27 23.75 238
  28 3.39 34
  29 4.88 49
  31 2.31 23
  39 10.75 108
  40 1.7 17
  41 27.71 277
  42 11.9 119
  43 99.99 999
  44 2.99 30
  55 1.24 12
  57 1.29 13
  59 3.25 33
  71 48.01 480
  72 1.88 19
  73 2.72 27
  88 1.4 14
  89 34.15 342
  90 1.43 14
  101 2.18 22
//