MassBank Record: MSJ00085

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n-Dodecane; CI-Q; MS; Positive; Reactant ion NO+

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

ACCESSION: MSJ00085
RECORD_TITLE: n-Dodecane; CI-Q; MS; Positive; Reactant ion NO+
DATE: 2018.12.19
AUTHORS: Satoshi Inomata, Hiroyuki Yamada, Hiroshi Tanimoto, Center for Environmental Measurement and Analysis and Center for Global Environmental Research, National Institute for Environmental Studies, and Department of Mechanical Engineering, Tokyo Denki University
LICENSE: CC BY
COPYRIGHT: Satoshi Inomata, Hiroyuki Yamada, Hiroshi Tanimoto, Center for Environmental Measurement and Analysis and Center for Global Environmental Research, National Institute for Environmental Studies, and Department of Mechanical Engineering, Tokyo Denki University
PUBLICATION: Hiroyuki Yamada, Satoshi Inomata, Hiroshi Tanimoto, Atmos. Environ., 107, 166-173 (2015).
COMMENT: Sample concentration was 0.12 ppm (v/v) by using Permeator.
COMMENT: The reactant ion, NO+, was generated from the air at the hollow cathode discharge 2.0 mA by using Proton Transfer Reaction plus Switchable Reagent Ion Mass Spectrometry, PTR+SRI-MS.
COMMENT: Pressure inside of the drift tube was 2.1 mbar. Temperature of the drift tube was 105 C. Electric field of the drift tube was E/N = 67 Td (U_drift = 250 V). Temperature of inlet tube was 105 C.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 16HP2005 to the Mass Spectrometry Society of Japan.

CH$NAME: n-Dodecane
CH$COMPOUND_CLASS: Synthetic compound; alkanes
CH$FORMULA: C12H26
CH$EXACT_MASS: 170.2035
CH$SMILES: CCCCCCCCCCCC
CH$IUPAC: InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
CH$LINK: CHEMSPIDER 7890
CH$LINK: INCHIKEY SNRUBQQJIBEYMU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8182
CH$LINK: COMPTOX DTXSID0026913

AC$INSTRUMENT: PTR-QMS 500 (IONICON Analytik GmbH, Innsbruck, Austria)
AC$INSTRUMENT_TYPE: CI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION CI
AC$MASS_SPECTROMETRY: REACTANT_ION NO+

PK$SPLASH: splash10-014i-0900000000-53d2c4467dcbbd0feeaf
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  43 0.0092 2
  57 0.0832 18
  71 0.0803 17
  85 0.0938 20
  99 0.0811 17
  113 0.0733 16
  127 0.0423 9
  144 0.0086 2
  155 0.0122 3
  169 4.6882 999
//