MassBank Record: MSJ00088

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1-Hexene; CI-Q; MS; POSITIVE; Reactant ion NO+

Mass Spectrum
Chemical Structure
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ACCESSION: MSJ00088
RECORD_TITLE: 1-Hexene; 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: Satoshi Inomata, Hiroyuki Yamada, Hiroshi Tanimoto, J. Mass Spectrom. Soc., Jpn., 66(3), 123-128 (2018).
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: 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: Sample concentration was 2.32 ppm (v/v) by using Permeator.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 16HP2005 to the Mass Spectrometry Society of Japan.

CH$NAME: 1-Hexene
CH$COMPOUND_CLASS: Synthetic compound; alkenes
CH$FORMULA: C6H12
CH$EXACT_MASS: 84.0939000000000049794834922067821025848388671875
CH$SMILES: CCCCC=C
CH$IUPAC: InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3
CH$LINK: CHEMSPIDER 11109
CH$LINK: COMPTOX DTXSID4025402
CH$LINK: INCHIKEY LIKMAJRDDDTEIG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11597

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$SPLASH: splash10-01p9-9300000000-13857499289b8fa40751
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  55 0.209 78
  69 0.5063 189
  72 0.3109 116
  83 0.6232 232
  86 2.6812 999
  114 1.8339 683
//