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MassBank Record: JP006905

HEPTYL PROPIONATE; EI-B; MS

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

ACCESSION: JP006905
RECORD_TITLE: HEPTYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: HEPTYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCCCOC(=O)CC
CH$IUPAC: InChI=1S/C10H20O2/c1-3-5-6-7-8-9-12-10(11)4-2/h3-9H2,1-2H3
CH$LINK: INCHIKEY BGYICJVBGZQOCY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00176693

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$SPLASH: splash10-0a6r-9000000000-e153617a8287cd2b0284
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  26 1.49 15
  27 22.86 229
  28 8.09 81
  29 57.9 579
  30 1.16 12
  31 2.29 23
  39 8.5 85
  40 1.59 16
  41 31.26 313
  42 16.13 161
  43 21.93 219
  53 1.54 15
  54 2.8 28
  55 24.5 245
  56 42.49 425
  57 99.99 999
  58 2.87 29
  68 3.55 36
  69 18.12 181
  70 33.29 333
  71 1.71 17
  72 1.38 14
  74 1.69 17
  75 42.26 423
  76 1.09 11
  83 2.93 29
  87 3.1 31
  97 2.06 21
  98 18.01 180
  99 1.02 10
//

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