MassBank Record: JP009412

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PENTANE; EI-B; MS

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

ACCESSION: JP009412
RECORD_TITLE: PENTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PENTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H12
CH$EXACT_MASS: 72.09390
CH$SMILES: CCCCC
CH$IUPAC: InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
CH$LINK: INCHIKEY OFBQJSOFQDEBGM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2025846

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0006-9000000000-9f4d0bc46cbebba40720
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  14 1.25 13
  15 4.16 42
  26 3.1 31
  27 30.44 304
  29 21.08 211
  38 1.59 16
  39 16.11 161
  40 2.65 27
  41 47.86 479
  42 59.35 594
  43 99.99 999
  44 3.4 34
  53 1.31 13
  55 3.55 36
  56 3 30
  57 15.49 155
  71 1.45 15
  72 11.45 115
//