MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001687

ACETIC ACID AMYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001687
RECORD_TITLE: ACETIC ACID AMYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: ACETIC ACID AMYL ESTER
CH$NAME: PENTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCCCOC(C)=O
CH$IUPAC: InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
CH$LINK: INCHIKEY PGMYKACGEOXYJE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1027263

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AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9000000000-b1bec14ac5b42f1bc36d
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 3.03 30
  27 5.36 54
  28 2.87 29
  29 7.76 78
  31 2.72 27
  39 3.73 37
  41 12.89 129
  42 29.11 291
  43 99.99 999
  44 2.87 29
  45 1.32 13
  55 22.2 222
  56 1.86 19
  57 2.33 23
  58 3.73 37
  61 19.02 190
  69 5.82 58
  70 31.06 311
  71 2.48 25
  73 11.57 116
  87 1.16 12
//