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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009990

PENTANE-1,5-DIAL; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009990
RECORD_TITLE: PENTANE-1,5-DIAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: PENTANE-1,5-DIAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8O2
CH$EXACT_MASS: 100.05243
CH$SMILES: O=CCCCC=O
CH$IUPAC: InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
CH$LINK: INCHIKEY SXRSQZLOMIGNAQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6025355

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-0a4ee2dd933655592450
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  26 3.3 33
  27 34.3 343
  28 9.4 94
  29 3.17 32
  30 1.1 11
  31 3.3 33
  37 1.1 11
  38 0.21 2
  39 16.2 162
  40 2 20
  41 33.1 331
  42 0.82 8
  43 35.1 351
  44 99.99 999
  45 3.5 35
  53 0.31 3
  54 3.5 35
  55 8.5 85
  56 1.8 18
  57 2.24 22
  58 1.1 11
  71 3.5 35
  72 36.4 364
  73 0.16 2
  81 8.5 85
  82 36.2 362
  83 2.1 21
//

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