ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008673
RECORD_TITLE: PENTANAL; 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

CH$NAME: PENTANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O
CH$EXACT_MASS: 86.07316
CH$SMILES: CCCCC=O
CH$IUPAC: InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
CH$LINK: COMPTOX DTXSID7021653
CH$LINK: INCHIKEY HGBOYTHUEUWSSQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8063

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-002f-9000000000-d38a485c600fbb15d429
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 3.42 34
  26 5.56 56
  27 38.31 383
  28 3.03 30
  29 53.5 535
  31 2.35 24
  38 2.68 27
  39 17.29 173
  41 44.81 448
  42 10.89 109
  43 16.85 169
  44 99.99 999
  45 10.21 102
  50 1.67 17
  51 1.86 19
  53 2.56 26
  55 4.95 50
  57 20.07 201
  58 30.28 303
  71 1.6 16
//