MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007071

PENTYL ACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007071
RECORD_TITLE: PENTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

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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$LINK: CAS 628-63-7
CH$LINK: INCHIKEY PGMYKACGEOXYJE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1027263

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AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-cdadbdf8f1d5ef30794f
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 4.61 46
  27 8.92 89
  28 2.35 24
  29 8.85 89
  31 1.09 11
  39 6.33 63
  40 1.06 11
  41 13.93 139
  42 22.98 230
  43 99.99 999
  44 2.41 24
  55 19.25 193
  56 1.22 12
  57 1.18 12
  58 3.42 34
  61 22.33 223
  69 6.71 67
  70 38.68 387
  71 2.41 24
  73 11.44 114
  87 1.2 12
//