MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005165

ISOPROPYL ACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005165
RECORD_TITLE: ISOPROPYL ACETATE; 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$NAME: ISOPROPYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O₂
CH$EXACT_MASS: 102.06808
CH$SMILES: CC(C)OC(C)=O
CH$IUPAC: InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
CH$LINK: INCHIKEY JMMWKPVZQRWMSS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2025478

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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$SPLASH: splash10-0006-9000000000-68aba8c5eadea9fb01e2
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  27 2.18 22
  41 6.38 64
  42 7.99 80
  43 99.99 999
  44 2.7 27
  45 2.87 29
  59 13.91 139
  61 37.13 371
  62 0.98 10
  87 19.14 191
  88 0.97 10
  102 0.86 9
//