MassBank MassBank Search Contents Download

MassBank Record: MSJ00590

(2E,6S,7R)-6,7-Epoxynon-2-enal; GC-FI-TOF; MS; positive; FI; 10 kV

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

ACCESSION: MSJ00590
RECORD_TITLE: (2E,6S,7R)-6,7-Epoxynon-2-enal; GC-FI-TOF; MS; positive; FI; 10 kV
DATE: 2021.02.18
AUTHORS: Masayo Sekimoto, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
LICENSE: CC BY
COPYRIGHT: Masayo Sekimoto, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
PUBLICATION: Kenji Mori, Tetrahedron 74 (2018) 1444-1448, DOI:10.1016/j.tet.2018.01.052.
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, 154.09938.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 20HP8016 to the Mass Spectrometry Society of Japan.

CH$NAME: (2E,6S,7R)-6,7-Epoxynon-2-enal
CH$COMPOUND_CLASS: Non-natural product
CH$FORMULA: C9H14O2
CH$EXACT_MASS: 154.09938
CH$SMILES: O=C\C=C\CC[C@@H]1O[C@@H]1CC
CH$IUPAC: InChI=1S/C9H14O2/c1-2-8-9(11-8)6-4-3-5-7-10/h3,5,7-9H,2,4,6H2,1H3/b5-3+/t8-,9+/m1/s1
CH$LINK: INCHIKEY ZSTYAQLLVODWMQ-ZHBVTVBMSA-N
CH$LINK: PUBCHEM CID:137552805

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 320 C and held at the final temp. for 1.67 min.
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
AC$CHROMATOGRAPHY: RETENTION_TIME 7.59 min.

PK$SPLASH: splash10-0udi-0900000000-578bb4400441e42623b0
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  29.003 5.14 51
  42.048 6.33 63
  112.052 24.00 240
  113.062 11.38 114
  136.083 3.16 32
  137.093 4.68 47
  152.083 3.30 33
  154.099 100.00 999
  155.106 40.67 406
  266.154 6.05 60
//

system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium