ACCESSION: MSBNK-MSSJ-MSJ02119
RECORD_TITLE: ((pentylthio)methyl)diphenylsilane; GC-EI-TOF; MS; POSITIVE; EI; 70 V
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: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, Zhaomin Hou. Yttrium-Catalyzed Regioselective alpha-C-H Silylation of Methyl Sulfides with Hydrosilanes. ACS Catal. 2018, 8, 8027-8032. DOI: 10.1021/acscatal.8b02405
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 4a_ei.xlsx.
COMMENT: JMS-T100GCV (JEOL, Akishima, Japan) is a reflectron time-of-flight (reTOF) mass spectrometer. Temperature of the ion-source and GC-transfer line were 200 C and 250 C, respectively. Resolving power (FWHM, nominal) was 7000.
COMMENT: EI voltage was 70 V. Typical accuracy level expected was 5 ppm. Postrun m/z adjustment with known mass was 300.1368.

CH$NAME: ((pentylthio)methyl)diphenylsilane
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C₁₈H₂₄SSi
CH$EXACT_MASS: 300.1368
CH$SMILES: CCCCCSC[SiH](c1ccccc1)c1ccccc1
CH$IUPAC: InChI=1S/C18H24SSi/c1-2-3-10-15-19-16-20(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,20H,2-3,10,15-16H2,1H3
CH$LINK: INCHIKEY BAEHMWWKTMDKMA-UHFFFAOYSA-N

AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A gas chromatograph.
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION EI
AC$CHROMATOGRAPHY: CARRIER_GAS He, flow rate 1.5 ml/min.
AC$CHROMATOGRAPHY: COLUMN_NAME HP-5 30x0.32 0.25um 19091J-413, length 30.0 m, I.D. 0.32 mm, thickness 0.25 micrometer.
AC$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 5.67 min.
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
AC$CHROMATOGRAPHY: RETENTION_TIME 11.22 min.

PK$SPLASH: splash10-001i-2920000000-72059731c4372c04f8db
PK$NUM_PEAK: 135
PK$PEAK: m/z int. rel.int.
  27.024 2.6114 26
  28.006 1.2294 12
  28.031 0.2602 3
  29.04 4.6857 47
  31.99 0.7089 7
  39.024 1.6741 17
  40.031 0.2212 2
  41.04 6.8673 69
  42.047 1.3972 14
  43.001 0.5398 5
  43.055 8.6191 86
  44.059 0.2919 3
  44.98 0.6148 6
  45.989 0.5107 5
  46.996 0.5678 6
  51.024 0.9289 9
  52.985 4.89 49
  53.04 0.4149 4
  53.989 0.4223 4
  55.001 0.6587 7
  55.056 1.5035 15
  60.005 0.2215 2
  61.012 2.1599 22
  63.024 0.2357 2
  65.04 1.482 15
  65.993 0.3451 3
  67.001 0.8598 9
  69.071 2.0969 21
  70.077 0.2514 3
  74.973 1.0761 11
  76.986 0.5166 5
  77.04 2.942 29
  77.993 0.3484 3
  78.047 1.0497 10
  79.001 4.1309 41
  79.055 0.6865 7
  80.004 0.4704 5
  81.016 0.5482 5
  89.04 0.5393 5
  90.047 0.432 4
  91.056 22.1661 221
  92.06 1.9356 19
  93.017 2.5441 25
  93.07 0.3136 3
  94.018 0.2673 3
  103.001 2.8667 29
  103.057 0.2799 3
  104.007 0.7064 7
  104.063 0.3152 3
  105.017 35.229 352
  106.019 4.2097 42
  107.023 1.4754 15
  108.031 0.1615 2
  115.056 0.5257 5
  117.017 0.7199 7
  117.074 2.987 30
  118.024 0.5438 5
  118.078 0.2922 3
  119.033 2.9315 29
  120.037 0.6115 6
  121.047 0.6201 6
  128.063 0.29 3
  129.017 1.2936 13
  130.022 0.289 3
  131.032 1.2142 12
  136.989 4.9673 50
  137.994 1.2328 12
  139.004 2.1553 22
  140.004 0.285 3
  141.003 0.2022 2
  143.034 0.3968 4
  144.042 0.1833 2
  145.048 0.2669 3
  147.118 0.4249 4
  148.989 0.2163 2
  149.996 0.2293 2
  151.004 7.0855 71
  152.012 30.6998 307
  153.015 5.8101 58
  154.01 2.7238 27
  154.078 0.3012 3
  155.032 3.7279 37
  156.035 0.5951 6
  157.047 0.6348 6
  165.02 0.809 8
  165.071 2.7168 27
  166.077 0.6853 7
  167.032 0.5407 5
  167.087 0.8324 8
  169.046 0.2962 3
  179.033 0.9351 9
  180.04 4.0668 41
  181.048 29.0204 290
  181.319 0.3725 4
  182.051 6.0017 60
  183.064 100 999
  183.548 0.2105 2
  183.732 0.3155 3
  184.066 18.03 180
  184.688 0.2152 2
  185.063 4.418 44
  185.711 0.1229 1
  186.066 0.5077 5
  193.048 1.2061 12
  194.054 0.5767 6
  195.064 17.1231 171
  195.196 0.5045 5
  196.071 16.2653 162
  197.078 16.4024 164
  198.08 3.0118 30
  199.078 0.6887 7
  207.066 0.4485 4
  209.083 1.5462 15
  210.085 0.3075 3
  213.019 0.2832 3
  215.036 13.9217 139
  216.038 2.5716 26
  217.033 1.2405 12
  223.097 0.2985 3
  227.036 0.5554 6
  229.051 37.9646 379
  230.056 18.2633 182
  231.054 5.3037 53
  232.055 1.5181 15
  233.054 0.2632 3
  252.132 1.038 10
  253.137 0.4497 4
  285.113 9.584 96
  286.116 2.4056 24
  287.112 0.9865 10
  288.112 0.1754 2
  299.13 0.5568 6
  300.137 7.4594 75
  301.139 1.9434 19
  302.136 0.7783 8
//