MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001197

ISOPROPYL ACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001197
RECORD_TITLE: ISOPROPYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
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$INSTRUMENT: HITACHI RMU-6D
AC$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$SPLASH: splash10-0006-9000000000-3c1bf63a96986c62713a
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  18 2 20
  26 1 10
  27 2.5 25
  30 0.15 2
  41 6 60
  42 8 80
  43 99.99 999
  44 0.2 2
  45 2 20
  59 10 100
  60 3 30
  61 4.2 42
  62 1 10
  70 2.5 25
  86 23 230
  87 0.1 1
  101 1 10
  102 2 20
//