ACCESSION: MSBNK-MSSJ-MSJ00679
RECORD_TITLE: 2-[(1S,2S)-1,2-Dimethyl-3-methylenecyclopentyl]acetaldehyde; GC-FI-TOF; MS; positive; FI; 10 kV
DATE: 2021.03.15
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 Jun Tabata, Tetrahedron 73 (2017) 6530-6541, DOI:10.1016/j.tet.2017.09.046.
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, 152.1201.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 20HP8016 to the Mass Spectrometry Society of Japan.

CH$NAME: 2-[(1S,2S)-1,2-Dimethyl-3-methylenecyclopentyl]acetaldehyde
CH$COMPOUND_CLASS: Non-natural product
CH$FORMULA: C₁₀H₁₆O
CH$EXACT_MASS: 152.12012
CH$SMILES: C[C@H]1C(=C)CC[C@@]1(C)CC=O
CH$IUPAC: InChI=1S/C10H16O/c1-8-4-5-10(3,6-7-11)9(8)2/h7,9H,1,4-6H2,2-3H3/t9-,10-/m0/s1
CH$LINK: INCHIKEY GYJXBEFJPRKJOV-UWVGGRQHSA-N
CH$LINK: PUBCHEM CID:132546705

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 6.41 min.

PK$SPLASH: splash10-0udi-0900000000-c841530a5ca269734345
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  108.095 20.38 204
  152.120 100.00 999
  153.126 27.76 277
//