ACCESSION: MSBNK-MSSJ-MSJ02057
RECORD_TITLE: (3S)-3-((tert-Butyldimethylsilyl)oxy)nona-1,8-dien-5-ol; 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-2571A-1_i1_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 213.13108.

CH$NAME: (3S)-3-((tert-Butyldimethylsilyl)oxy)nona-1,8-dien-5-ol
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C₁₅H₃₀O₂Si
CH$EXACT_MASS: 270.20151
CH$SMILES: C=CCCC(O)C[C@@H](C=C)O[Si](C)(C)C(C)(C)C
CH$IUPAC: InChI=1S/C15H30O2Si/c1-8-10-11-13(16)12-14(9-2)17-18(6,7)15(3,4)5/h8-9,13-14,16H,1-2,10-12H2,3-7H3/t13?,14-/m1/s1
CH$LINK: INCHIKEY VECYSNFSSMAJCN-ARLHGKGLSA-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 8.61 min.

PK$SPLASH: splash10-03di-0090000000-d896c96f1e0a526bc844
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  57.072 1.3504 13
  115.095 0.881 9
  121.1 0.3727 4
  131.05 0.827 8
  171.123 0.4182 4
  213.131 100 999
  213.851 0.2985 3
  214.133 17.2427 172
  214.858 0.2231 2
  215.131 5.0153 50
  215.251 0.171 2
  215.355 0.1902 2
  215.431 0.1435 1
  216.133 0.4547 5
  271.209 3.1918 32
  272.213 0.7324 7
  273.21 0.2033 2
//