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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008044

BUTYRIC ACID ISOPENTYL ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008044
RECORD_TITLE: BUTYRIC ACID ISOPENTYL ESTER; 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$NAME: BUTYRIC ACID ISOPENTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O2
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY PQLMXFQTAMDXIZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3042059

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-9000000000-84f324a87c41b088fe0b
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  29 1.43 14
  41 3.52 35
  42 9.52 95
  43 45.6 456
  44 1.76 18
  45 1.32 13
  55 25.71 257
  56 1.54 15
  57 1.21 12
  60 2.2 22
  69 4.62 46
  70 99.99 999
  71 73.08 731
  72 3.3 33
  73 1.43 14
  85 1.76 18
  87 2.53 25
  88 3.08 31
  89 14.51 145
  101 3.74 37
  115 4.84 48
//

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