ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005973
RECORD_TITLE: PROPYL ISOBUTYRATE; CI-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$NAME: PROPYL ISOBUTYRATE
CH$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$LINK: INCHIKEY AZFUASHXSOTBNU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30214653

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0079-9000000000-94d85cc5a1a1c10ddb3d
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  71 98.8 988
  73 5.04 50
  74 7.28 73
  87 3.25 33
  89 99.99 999
  90 5.13 51
  101 4.29 43
  131 1.94 19
//