ACCESSION: MSBNK-MSSJ-MSJ00089
RECORD_TITLE: 3-Hexene (cis/trans mixture); 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 2.05 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$NAME: 3-Hexene (cis/trans mixture)
CH$COMPOUND_CLASS: Synthetic compound; alkenes
CH$FORMULA: C₆H₁₂
CH$EXACT_MASS: 84.0939
CH$SMILES: CCC=CCC
CH$IUPAC: InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3
CH$LINK: CHEMSPIDER 11113
CH$LINK: INCHIKEY ZQDPJFUHLCOCRG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11601
CH$LINK: COMPTOX DTXSID9073202

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$SPLASH: splash10-001i-9000000000-371fc4036f3fc1fb267b
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
83 1.6282 318
84 5.1101 999
//