MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005161

PENTYL ACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005161
RECORD_TITLE: PENTYL 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$NAME: PENTYL ACETATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-006x-9000000000-42397482ec3633be2aa4
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  28 1.05 11
  29 2.59 26
  41 6.04 60
  42 40.12 401
  43 99.99 999
  44 2.59 26
  45 1.05 11
  55 32.28 323
  56 2.22 22
  57 1.6 16
  58 7.34 73
  61 47.53 475
  62 1.05 11
  68 1.23 12
  69 11.23 112
  70 93.21 932
  71 6.05 61
  72 1.05 11
  73 20.43 204
  85 1.72 17
  87 2.16 22
  101 1.79 18
  112 1.05 11
//