MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005925

ISOPROPYL BUTYRATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005925
RECORD_TITLE: ISOPROPYL BUTYRATE; 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$NAME: ISOPROPYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY FFOPEPMHKILNIT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5075288

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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$SPLASH: splash10-0076-9000000000-724f87ca3dc7590d6469
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 2.43 24
  28 1.74 17
  41 7.99 80
  42 8.68 87
  43 99.99 999
  44 3.47 35
  45 2.08 21
  59 18.75 188
  60 19.1 191
  61 1.4 14
  70 1.04 10
  71 96.87 969
  72 4.86 49
  73 8.33 83
  87 1.04 10
  88 20.14 201
  89 44.1 441
  90 2.43 24
  102 5.21 52
  115 9.37 94
  130 1.04 10
//