ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002558
RECORD_TITLE: N-BUTYL 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$NAME: N-BUTYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY JSLCOZYBKYHZNL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9073888

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$SPLASH: splash10-059f-9000000000-9688cae9c61bb66ddb0c
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 1.92 19
  26 1.95 20
  27 24.83 248
  28 8.32 83
  29 32.3 323
  31 2.56 26
  39 11.45 115
  40 2.43 24
  41 49.77 498
  42 9.37 94
  43 99.99 999
  44 3.52 35
  45 1.25 13
  55 8.54 85
  56 56.04 560
  57 45.49 455
  58 2.03 20
  59 1.12 11
  70 1.5 15
  71 90.19 902
  72 4.67 47
  73 4.43 44
  88 4.17 42
  89 83.3 833
  90 4 40
  101 6.54 65
//