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MassBank Record: MSBNK-MSSJ-MSJ02073

((2R,5R)-5-Allyltetrahydrofuran-2-yl)methanol; 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-MSJ02073
RECORD_TITLE: ((2R,5R)-5-Allyltetrahydrofuran-2-yl)methanol; GC-FI-TOF; MS; positive; FI; 10 kV
DATE: 2022.01.13
AUTHORS: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
LICENSE: CC BY
COPYRIGHT: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
PUBLICATION: Takahashi K, Satoh D, Hayashi M, Takahashi K, Yamaguchi K Nakamura T, and Koshino H, J. Org, Chem., 2016, 81, 11222-11234; DOI:10.1021/acs.joc.6b02187.
COMMENT: JMS-T100GCV is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 60 and 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, 142.0994.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 21HP8020 to the Mass Spectrometry Society of Japan.

CH$NAME: ((2R,5R)-5-Allyltetrahydrofuran-2-yl)methanol
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C8H14O2
CH$EXACT_MASS: 142.09938
CH$SMILES: OC[C@H]1CC[C@H](CC=C)O1
CH$IUPAC: InChI=1S/C8H14O2/c1-2-3-7-4-5-8(6-9)10-7/h2,7-9H,1,3-6H2/t7-,8+/m0/s1
CH$LINK: CHEMSPIDER 30905983
CH$LINK: INCHIKEY SYMLTDCWUUNTQG-JGVFFNPUSA-N
CH$LINK: PUBCHEM CID:44248967

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 He, flow rate 1.5 ml/min.
AC$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 (Agilent, Wilmington, USA), length 30.0 m, I.D. 0.32 mm, thickness 0.25 micrometer.
AC$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 6.01 min.

PK$SPLASH: splash10-0udi-0900000000-dfb0b411fe56e46afeb8
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  31.019 0.9748 10
  41.04 5.0786 51
  101.06 100 999
  101.552 0.3294 3
  102.063 5.4605 55
  103.064 0.6941 7
  106.071 0.5773 6
  111.08 3.2898 33
  142.099 6.6902 67
  143.105 7.5173 75
  144.11 0.6048 6
//

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