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MassBank Record: MSJ00645

(1R,2R)-2-(1,2-Dimethyl-3-methylenecyclopentyl)ethanol; GC-FI-TOF; MS; positive; FI; 10 kV

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

ACCESSION: MSJ00645
RECORD_TITLE: (1R,2R)-2-(1,2-Dimethyl-3-methylenecyclopentyl)ethanol; 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 250 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, 154.13577.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 20HP8016 to the Mass Spectrometry Society of Japan.

CH$NAME: (1R,2R)-2-(1,2-Dimethyl-3-methylenecyclopentyl)ethanol
CH$COMPOUND_CLASS: Non-natural product
CH$FORMULA: C10H18O
CH$EXACT_MASS: 154.13577
CH$SMILES: C[C@]1(CCO)CCC(=C)[C@H]1C
CH$IUPAC: InChI=1S/C10H18O/c1-8-4-5-10(3,6-7-11)9(8)2/h9,11H,1,4-7H2,2-3H3/t9-,10-/m1/s1
CH$LINK: INCHIKEY VOXWUARBEUMJJU-NXEZZACHSA-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 7.06 min.

PK$SPLASH: splash10-0zfr-0900000000-287c3b4c84dc280a5837
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  31.018 17.4 174
  109.101 30.94 309
  110.106 32.52 325
  110.214 6.37 64
  123.122 7.63 76
  136.124 11.24 112
  137.131 19.88 199
  139.113 6.6 66
  154.136 100 999
  155.141 36.76 367
//

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