MassBank Record: MSJ00090

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

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

ACCESSION: MSJ00090
RECORD_TITLE: Benzene; 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: The detection sensitivity of benzene was determined by data at 0, 20, 40, 60, 80, 100 ppb(v/v). A ten-VOC premixed standard gas containing methanol, acetonitrile, acetaldehyde, acetone, isoprene, benzene, methylvinylketone, toluene, p-xylene, and 1,3,5-trimethylbenzene was used for the determination of the detection sensitivity.
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$NAME: Benzene
CH$COMPOUND_CLASS: Synthetic compound; aromatic compound
CH$FORMULA: C6H6
CH$EXACT_MASS: 78.0470
CH$SMILES: c1ccccc1
CH$IUPAC: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
CH$LINK: CHEMSPIDER 236
CH$LINK: INCHIKEY UHOVQNZJYSORNB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:241
CH$LINK: COMPTOX DTXSID3039242

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$SPLASH: splash10-004i-9200000000-d4888ed94a6a4e783628
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  78 5.2 999
  108 1.7 327
//