MassBank Record: MSJ00086

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Cyclohexane; CI-Q; MS; Positive; Reactant ion NO+

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

ACCESSION: MSJ00086
RECORD_TITLE: Cyclohexane; 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: Satoshi Inomata, Hiroyuki Yamada, Hiroshi Tanimoto, J. Mass Spectrom. Soc. Jpn., 66(3), 123-128 (2018).
COMMENT: Sample concentration was 1.73 ppm (v/v), produced by using a 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$NAME: Cyclohexane
CH$COMPOUND_CLASS: Synthetic compound; alkanes
CH$FORMULA: C6H12
CH$EXACT_MASS: 84.0939
CH$SMILES: C1CCCCC1
CH$IUPAC: InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
CH$LINK: CHEMSPIDER 7787
CH$LINK: INCHIKEY XDTMQSROBMDMFD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8078
CH$LINK: COMPTOX DTXSID4021923

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$SPLASH: splash10-001i-9000000000-209e825a6eb5e5f3ad08
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  83 0.3001 999
  114 0.0165 55
//