ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002556
RECORD_TITLE: N-PROPYL ISOBUTYRATE; 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$NAME: N-PROPYL ISOBUTYRATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9000000000-769fd7405d012dac89a1
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  15 1.67 17
  26 1.4 14
  27 18.25 183
  28 3.18 32
  29 2.8 28
  31 2.85 29
  39 7.21 72
  40 1.55 16
  41 23.04 230
  42 13.66 137
  43 99.99 999
  44 3.33 33
  45 1.3 13
  55 1 10
  57 1.32 13
  59 4.13 41
  71 55.76 558
  72 2.72 27
  73 3.1 31
  88 2.12 21
  89 46.9 469
  90 2.34 23
  101 3.77 38
//