MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008044

BUTYRIC ACID ISOPENTYL ESTER; EI-B; MS

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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

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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

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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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
//