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MassBank Record: JP006468

HEPTYL FORMATE; EI-B; MS

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

ACCESSION: JP006468
RECORD_TITLE: HEPTYL FORMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HEPTYL FORMATE
CH$NAME: FORMIC ACID HEPTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCCCCOC=O
CH$IUPAC: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3
CH$LINK: INCHIKEY XEAMDSXSXYAICO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9059416

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$SPLASH: splash10-0596-9000000000-0a8140eee1ea9cb86948
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 1.26 13
  26 1.75 18
  27 32.26 323
  28 10.46 105
  29 44.95 450
  30 1.58 16
  31 33.96 340
  39 22.37 224
  40 4.15 42
  41 84.74 847
  42 45.73 457
  43 44.55 446
  44 3.1 31
  45 2.99 30
  47 3.12 31
  51 1.26 13
  53 4.24 42
  54 8.34 83
  55 63.97 640
  56 99.99 999
  57 24.29 243
  58 1.13 11
  59 1.03 10
  67 2.93 29
  68 15.07 151
  69 54.65 547
  70 95.08 951
  71 5.08 51
  73 1.71 17
  83 8.98 90
  84 1.24 12
  87 2.37 24
  98 10.01 100
  99 1.03 10
//

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