MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005895

ISOPROPYL PROPIONATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005895
RECORD_TITLE: ISOPROPYL PROPIONATE; 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$NAME: ISOPROPYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3
CH$LINK: INCHIKEY IJMWOMHMDSDKGK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6060927

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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$SPLASH: splash10-0a4i-9000000000-0ec33489edf6c767e239
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  27 2.54 25
  29 14.65 147
  41 6.45 65
  42 5.08 51
  43 53.51 535
  44 1.95 20
  45 2.15 22
  56 1.17 12
  57 99.99 999
  58 3.61 36
  59 12.3 123
  74 5.76 58
  75 37.69 377
  76 1.37 14
  101 12.3 123
  116 0.59 6
//