MassBank Record: MSJ00084



 n-Hexane; CI-Q; MS; Positive; Reactant ion NO+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MSJ00084
RECORD_TITLE: n-Hexane; CI-Q; MS; Positive; Reactant ion NO+
DATE: 2018.12.25
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 2.77 ppm (v/v) by using Permeator.
COMMENT: 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$NAME: n-Hexane CH$COMPOUND_CLASS: Synthetic compound; alkanes CH$FORMULA: C6H14 CH$EXACT_MASS: 86.1096 CH$SMILES: CCCCCC CH$IUPAC: InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 CH$LINK: CHEMSPIDER 7767 CH$LINK: INCHIKEY VLKZOEOYAKHREP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:8058 CH$LINK: COMPTOX DTXSID0021917
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$SPLASH: splash10-000i-9000000000-85b6c7cfbc7bd4ab0013 PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 43 0.006 26 57 0.0075 33 71 0.0013 6 85 0.2305 999 //

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