ACCESSION: MSBNK-MSSJ-MSJ04037
RECORD_TITLE: (((4-(Dimethylsilyl)phenyl)thio)methyl)diphenylsilane; GC-EI-TOF; MS; POSITIVE; 70 V
DATE: 2023.12.04
AUTHORS: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
LICENSE: CC BY
COPYRIGHT: Eiyu Imai, Molecular Structure Characterization Unit, RIKEN, Japan
PUBLICATION: Yong Luo, Huai-Long Teng, Can Xue, Masayoshi Nishiura, and Zhaomin Hou; ACS Catal. 2018, 8, 8027−8032. DOI: 10.1021/acscatal.8b02405
COMMENT: Original ID of the mass spectral data is A170721_luo4MB/3ab_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. The m/z value was adjusted with 364.1137.

CH$NAME: (((4-(Dimethylsilyl)phenyl)thio)methyl)diphenylsilane
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C₂₁H₂₄SSi₂
CH$EXACT_MASS: 364.113725
CH$SMILES: C[SiH](C)c1ccc(SC[SiH](c2ccccc2)c2ccccc2)cc1
CH$IUPAC: InChI=1S/C21H24SSi2/c1-23(2)19-15-13-18(14-16-19)22-17-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,23-24H,17H2,1-2H3
CH$LINK: INCHIKEY HNGDNCMFNPZAHD-UHFFFAOYSA-N

AC$INSTRUMENT: JMS-T100GCV (JEOL, Akishima, Japan) coupled to Agilent 7890A (Santa Clara, CA, USA) gas chromatograph.
AC$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$CHROMATOGRAPHY: COLUMN_NAME HP-5 19091J-413 USD364547H (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 320 C and held at the final temperature for 7.67 min.
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
AC$CHROMATOGRAPHY: RETENTION_TIME 12.56 min

PK$SPLASH: splash10-001i-2901000000-056132eb93aedc511c01
PK$NUM_PEAK: 193
PK$PEAK: m/z int. rel.int.
  28.006 2.2931 23
  28.985 0.6052 6
  31.001 1.4897 15
  31.99 0.761 8
  39.024 0.5557 6
  43.001 5.3144 53
  44.004 0.4133 4
  44.981 0.5803 6
  45.016 0.5283 5
  50.017 0.3056 3
  51.024 1.2325 12
  52.031 0.259 3
  52.985 5.3387 53
  53.041 0.1565 2
  53.988 0.4457 4
  55.001 1.1117 11
  57.017 0.6529 7
  58.025 2.4218 24
  59.032 21.3377 213
  60.033 1.4508 14
  60.957 0.2701 3
  61.029 0.7153 7
  63.024 0.3581 4
  65.04 2.0635 21
  65.994 0.427 4
  67.001 1.4636 15
  68.007 0.2779 3
  69.017 0.9097 9
  72.04 0.3472 3
  74.973 1.9475 19
  76.032 0.5214 5
  76.986 0.6329 6
  77.04 4.2493 42
  77.993 0.4213 4
  78.047 1.4016 14
  79.001 4.2328 42
  79.055 0.6966 7
  80.004 0.4541 5
  81.017 0.8281 8
  83.032 0.8525 9
  89.04 1.3008 13
  90.048 1.0012 10
  91.004 0.6636 7
  91.056 14.9482 149
  92.009 0.4076 4
  92.059 1.1767 12
  93.017 4.5138 45
  93.068 0.1289 1
  94.019 0.494 5
  95.032 0.6263 6
  103.002 3.4874 35
  103.056 0.5197 5
  104.008 1.0627 11
  104.064 0.6226 6
  105.017 44.107 441
  105.072 1.6912 17
  105.471 0.1226 1
  105.524 0.1423 1
  106.019 5.123 51
  106.074 0.1739 2
  107.028 2.4019 24
  108.036 0.3591 4
  109.047 0.2407 2
  115.056 0.5536 6
  117.017 1.3414 13
  118.024 0.7828 8
  119.033 7.081 71
  120.039 2.5533 26
  121.048 6.3653 64
  122.051 0.9814 10
  123.043 0.2675 3
  128.064 0.3222 3
  129.017 1.3284 13
  130.023 0.3902 4
  131.033 2.1167 21
  132.037 0.408 4
  133.048 0.9683 10
  134.056 2.1895 22
  135.063 9.9365 99
  135.982 0.2784 3
  136.066 1.4188 14
  136.989 2.3546 24
  137.062 0.4169 4
  137.991 0.3104 3
  138.988 0.2074 2
  141.071 0.2131 2
  143.033 0.4862 5
  145.048 0.7057 7
  147.064 0.2528 3
  148.071 0.7294 7
  148.99 0.9957 10
  149.078 0.5428 5
  149.996 1.2752 13
  151.005 3.8743 39
  152.009 0.934 9
  152.063 2.0181 20
  153.016 0.682 7
  153.069 0.5681 6
  154.023 0.3055 3
  154.078 0.2099 2
  155.033 4.4147 44
  156.035 0.7199 7
  157.048 0.8258 8
  164.014 0.2029 2
  165.022 4.0557 41
  165.071 5.5716 56
  166.028 3.191 32
  166.076 1.4612 15
  167.034 3.1054 31
  167.087 1.9846 20
  168.036 0.6997 7
  168.091 0.3245 3
  169.046 0.5891 6
  176.049 0.1719 2
  179.035 2.5455 25
  180.043 16.0638 160
  181.048 40.8952 409
  181.321 0.5481 5
  181.663 0.167 2
  182.051 8.3506 83
  182.322 0.1422 1
  182.652 0.1181 1
  182.724 0.1179 1
  183.064 100 999
  183.688 0.3427 3
  184.066 17.7583 177
  184.698 0.2341 2
  185.063 4.4247 44
  185.715 0.1442 1
  186.066 0.4863 5
  191.033 0.1684 2
  193.049 1.9444 19
  194.055 1.2198 12
  195.064 14.6542 146
  195.197 0.4899 5
  196.07 17.1589 171
  197.079 36.0764 360
  197.708 0.1431 1
  197.779 0.1387 1
  198.081 6.8402 68
  199.079 1.6524 17
  200.082 0.1915 2
  207.052 0.1747 2
  208.022 0.1849 2
  209.027 0.3546 4
  209.079 0.3304 3
  210.086 0.3741 4
  211.093 0.276 3
  213.02 1.5787 16
  214.024 0.3574 4
  215.035 1.4853 15
  216.038 0.2644 3
  217.034 0.1498 1
  225.027 0.2781 3
  226.028 0.4164 4
  227.036 6.7802 68
  228.039 1.811 18
  229.044 1.1294 11
  230.045 0.2361 2
  239.073 0.3264 3
  240.079 0.6348 6
  241.082 0.318 3
  242.067 0.2038 2
  255.076 0.1402 1
  257.08 0.8737 9
  258.084 0.282 3
  259.094 1.075 11
  260.096 0.2526 3
  271.044 1.9969 20
  272.046 0.5033 5
  273.053 0.5402 5
  285.059 0.6315 6
  286.064 0.301 3
  287.068 0.1819 2
  289.052 0.3892 4
  291.065 0.3454 3
  303.069 0.286 3
  304.075 0.308 3
  305.083 0.7427 7
  306.084 0.2352 2
  317.118 2.2279 22
  318.121 0.7031 7
  319.119 0.2574 3
  348.08 0.1829 2
  349.09 1.5422 15
  350.092 0.5193 5
  351.09 0.2437 2
  363.106 0.8484 8
  364.114 37.4149 374
  365.116 12.8274 128
  366.113 5.8733 59
  367.114 1.4495 14
  368.111 0.3305 3
//