ACCESSION: MSBNK-MSSJ-MSJ02077
RECORD_TITLE: ((2S,5S)-5-Allyltetrahydrofuran-2-yl)methanol; GC-FI-TOF; MS; POSITIVE; FI; 10 kV
DATE: 2023.03.27
AUTHORS: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
LICENSE: CC BY
COPYRIGHT: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
PUBLICATION: S. Takahashi, D. Satoh, M. Hayashi, K. Takahashi, K. Yamaguchi, T. Nakamura, H. Koshino. Total Synthesis of the Proposed Structure for Aromin and Its Structural Revision. J. Org. Chem. 2016, 81, 22, 11222-11234. doi: 10.1021/acs.joc.6b02187
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 22HP8019 to the Mass Spectrometry Society of Japan.
COMMENT: Original ID of the mass spectral data was ST-2630A-2-1_fi.xlsx.
COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the GC-transfer line was 200 C. Resolving power (FWHM, nominal) was 7000.
COMMENT: FI voltage was 10 kV. Typical accuracy level expected was 10 ppm. Postrun m/z adjustment with known mass was 142.09938.

CH$NAME: ((2S,5S)-5-Allyltetrahydrofuran-2-yl)methanol
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: C=CC[C@@H]1CC[C@@H](CO)O1
CH$IUPAC: InChI=1S/C8H14O2/c1-2-3-7-4-5-8(6-9)10-7/h2,7-9H,1,3-6H2/t7-,8+/m1/s1
CH$LINK: CHEMSPIDER 61703006
CH$LINK: INCHIKEY SYMLTDCWUUNTQG-SFYZADRCSA-N

AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A gas chromatograph.
AC$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$CHROMATOGRAPHY: COLUMN_NAME ZB-1MS 7HM-G011-11 sn:313446, length 30.0 m, I.D. 0.32 mm, thickness 0.25 micrometer.
AC$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$SPLASH: splash10-0udi-0900000000-6df6b43d0d09f93ca084
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  31.018 0.493 5
  41.039 3.7527 37
  42.045 0.2894 3
  85.046 0.3201 3
  101.059 100 999
  101.555 0.312 3
  101.895 0.201 2
  102.063 5.7099 57
  102.208 0.1649 2
  102.268 0.1558 2
  103.064 0.6047 6
  106.069 0.8013 8
  111.08 2.2243 22
  112.084 0.2976 3
  141.092 0.1992 2
  142.099 6.5178 65
  143.105 7.5286 75
  144.109 0.7165 7
//