MassBank MassBank Search Contents Download

MassBank Record: MSBNK-MSSJ-MSJ00630

(7Z)-17-Methylhentriacontane-7-ene; GC-FI-TOF; MS; positive; FI; 10 kV

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

ACCESSION: MSBNK-MSSJ-MSJ00630
RECORD_TITLE: (7Z)-17-Methylhentriacontane-7-ene; GC-FI-TOF; MS; positive; FI; 10 kV
DATE: 2021.02.28
AUTHORS: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
LICENSE: CC BY
COPYRIGHT: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
PUBLICATION: Kenji Mori and Chang Y. Yang, Tetrahedron 72 (2016) 4593-4607, DOI:10.1016/j.tet.2016.06.033.
COMMENT: JMS-T100GCV is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the GC-transfer line was 200 C. Resolving power (FWHM, nominal) was 7,000.
COMMENT: Field ionization (FI) voltage, which is defined as the voltage between the emitter surface and the electrode, was 10 kV (default). Typical accuracy level expected was 10 ppm. Postrun m/z adjustment was made at a known mass, 448.5008.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 20HP8016 to the Mass Spectrometry Society of Japan.

CH$NAME: (7Z)-17-Methylhentriacontane-7-ene
CH$COMPOUND_CLASS: Non-natural product
CH$FORMULA: C32H64
CH$EXACT_MASS: 448.50080
CH$SMILES: CC(CCCCCCCCCCCCCC)CCCCCCCC/C=C\CCCCCC
CH$IUPAC: InChI=1S/C32H64/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-32(3)30-28-26-24-22-20-17-15-13-11-9-7-5-2/h14,16,32H,4-13,15,17-31H2,1-3H3/b16-14-
CH$LINK: INCHIKEY UXQGVEWCQRVAAQ-PEZBUJJGSA-N
CH$LINK: PUBCHEM CID:132542837

AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Agilent, Wilmington, USA) gas chromatograph.
AC$INSTRUMENT_TYPE: GC-FI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION FI
AC$CHROMATOGRAPHY: CARRIER_GAS Helium
AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091 J-413 USD364547H (Agilent, Wilmington, USA), length 30.0 m, I.D. 0.32 mm, thickness 0.25 micrometer.
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Held at initial oven temp. 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temp. for 1.5 min.
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
AC$CHROMATOGRAPHY: RETENTION_TIME 12.68 min.

PK$SPLASH: splash10-0002-0000900000-917f227720b4987bf7f0
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  448.501 100 999
  449.504 37.59 375
//

system version 2.2.5
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo