ACCESSION: MSBNK-MSSJ-MSJ00681
RECORD_TITLE: (-)-2-[(1S,2S)-1,2-Dimethyl-3-methylenecyclopentyl]ethyl camphanate; GC-FI-TOF; MS; positive; FI; 10 kV
DATE: 2021.03.01
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, 334.21441.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 20HP8016 to the Mass Spectrometry Society of Japan.

CH$NAME: (-)-2-[(1S,2S)-1,2-Dimethyl-3-methylenecyclopentyl]ethyl camphanate
CH$COMPOUND_CLASS: Non-natural product
CH$FORMULA: C₂₀H₃₀O₄
CH$EXACT_MASS: 334.21441
CH$SMILES: C=C1CC[C@@](C)(CCOC(=O)C23CCC(C)(C(=O)O2)C3(C)C)[C@H]1C
CH$IUPAC: InChI=1S/C20H30O4/c1-13-7-8-18(5,14(13)2)11-12-23-16(22)20-10-9-19(6,15(21)24-20)17(20,3)4/h14H,1,7-12H2,2-6H3/t14-,18-,19?,20?/m0/s1
CH$LINK: INCHIKEY XRLKCLCRQPKRSA-RSAJEKCLSA-N

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 11.46 min.

PK$SPLASH: splash10-001i-0009000000-07f07afa8fdf3f023a26
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  33.002 2.68 27
  77.793 2.68 27
  306.183 23.74 237
  307.185 7.31 73
  334.214 100 999
  335.219 25.35 253
  336.218 3.96 40
//