MassBank Record: MSJ00087

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Methyl-cyclohexane; CI-Q; MS; POSITIVE; Reactant ion NO+

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

ACCESSION: MSJ00087
RECORD_TITLE: Methyl-cyclohexane; 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: Sample concentration was 1.88 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$NAME: Methyl-cyclohexane
CH$COMPOUND_CLASS: Synthetic compound; alkanes
CH$FORMULA: C7H14
CH$EXACT_MASS: 98.1096
CH$SMILES: CC1CCCCC1
CH$IUPAC: InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
CH$LINK: CHEMSPIDER 7674
CH$LINK: INCHIKEY UAEPNZWRGJTJPN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7962
CH$LINK: COMPTOX DTXSID0047749

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$SPLASH: splash10-0002-9000000000-fc9ad20b026dc4f896b7
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
  97 2.2111 999
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