ACCESSION: MSBNK-MSSJ-MSJ02044
RECORD_TITLE: (2S,3S)-(-)-2,3-Epoxy-1-octanol; GC-FI-TOF; MS; positive; FI; 10 kV
DATE: 2022.02.21
AUTHORS: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
LICENSE: CC BY
COPYRIGHT: Eiyu Imai, Takemichi Nakamura, Molecular Structure Characterization Unit, RIKEN
PUBLICATION: Mori K, Osada K, Amaike M. Tetrahedron: Asymmetry. 2015 August 31;26(15-16):861-867. doi:10.1016/j.tetasy.2015.06.011.
COMMENT: JMS-T100GCV is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 70 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, 145.12285.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 21HP8020 to the Mass Spectrometry Society of Japan.

CH$NAME: (2S,3S)-(-)-2,3-Epoxy-1-octanol
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: OC[C@@H]1O[C@H]1CCCCC
CH$IUPAC: InChI=1S/C8H16O2/c1-2-3-4-5-7-8(6-9)10-7/h7-9H,2-6H2,1H3/t7-,8-/m0/s1
CH$LINK: CHEMSPIDER 9063297
CH$LINK: INCHIKEY PFEZFCUFFWFUKS-YUMQZZPRSA-N
CH$LINK: PUBCHEM CID:10888033

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$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091 J-413 USD364547H (Agilent, Wilmington, USA), length 30.0 m, I.D. 0.32 mm, thickness 0.25 micrometer.
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Held at initial oven temp. 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temp. for 1.5 min.
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 190 C
AC$CHROMATOGRAPHY: RETENTION_TIME 6.38 min.

PK$SPLASH: splash10-0002-0900000000-5a7b37645705cc774d2c
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  29.04 11.8001 118
  101.096 6.4005 64
  109.101 6.7835 68
  113.096 17.4464 174
  127.113 19.4483 194
  145.123 100 999
  146.127 10.3292 103
//