MassBank Record: MSJ00091

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1,3,5-Trimethylbenzene; CI-Q; MS; POSITIVE; Reactant ion NO+

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

ACCESSION: MSJ00091
RECORD_TITLE: 1,3,5-Trimethylbenzene; 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: 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: The detection sensitivity of 1,3,5-trimethylbenzene 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: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 16HP2005 to the Mass Spectrometry Society of Japan.

CH$NAME: 1,3,5-Trimethylbenzene
CH$NAME: Mesitylene
CH$COMPOUND_CLASS: Synthetic compound; aromatic
CH$FORMULA: C9H12
CH$EXACT_MASS: 120.0939000000000049794834922067821025848388671875
CH$SMILES: Cc1=cc(=cc(=c1)C)C
CH$IUPAC: InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
CH$LINK: CHEMSPIDER 7659
CH$LINK: COMPTOX DTXSID6026797
CH$LINK: INCHIKEY AUHZEENZYGFFBQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7947

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$SPLASH: splash10-00di-0900000000-023be5ee19dc6ca7e8b4
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
  120 7.3 999
//