ACCESSION: MSBNK-MSSJ-MSJ04027
RECORD_TITLE: (4-(((Ｄiphenylsilyl)methyl)thio)butyl)trimethylsilane; 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 A_170628_luo4MB/145-1_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 358.1607.

CH$NAME: (4-(((Ｄiphenylsilyl)methyl)thio)butyl)trimethylsilane
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C₂₀H₃₀SSi₂
CH$EXACT_MASS: 358.160675
CH$SMILES: C[Si](C)(C)CCCCSC[SiH](c1ccccc1)c1ccccc1
CH$IUPAC: InChI=1S/C20H30SSi2/c1-23(2,3)17-11-10-16-21-18-22(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15,22H,10-11,16-18H2,1-3H3
CH$LINK: INCHIKEY MNVANYARLHZKMR-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 11.85 min

PK$SPLASH: splash10-0089-4920000000-4f3f778161f694595697
PK$NUM_PEAK: 204
PK$PEAK: m/z int. rel.int.
  27.024 0.3414 3
  28.006 4.1538 41
  28.985 0.8233 8
  29.039 0.973 10
  31.001 0.9068 9
  31.99 1.5897 16
  39.024 0.618 6
  41.04 0.9156 9
  43.001 4.2595 43
  44.008 1.6168 16
  44.981 0.3033 3
  45.017 9.6649 97
  45.071 0.14 1
  46.017 0.552 6
  47.014 0.2966 3
  51.024 0.5904 6
  52.985 3.5087 35
  53.039 0.3448 3
  53.989 0.3418 3
  55.001 1.0835 11
  55.056 2.8561 29
  57.017 0.859 9
  58.025 4.4118 44
  59.032 10.6136 106
  59.095 0.1391 1
  60.033 0.7672 8
  60.958 0.2883 3
  61.03 0.3615 4
  65.04 0.9541 10
  67.002 0.6523 7
  69.017 0.3025 3
  70.025 0.3761 4
  71.033 1.7 17
  72.04 1.7214 17
  73.048 99.9559 999
  73.469 0.3032 3
  73.751 0.2005 2
  74.049 7.9278 79
  74.973 1.4806 15
  75.045 3.3524 33
  75.98 0.2281 2
  76.043 0.161 2
  76.988 1.3942 14
  77.04 1.7935 18
  77.992 0.3296 3
  78.047 0.876 9
  79.001 3.0685 31
  79.055 0.3319 3
  80.005 0.4087 4
  81.017 0.5759 6
  83.032 0.4057 4
  85.048 1.9925 20
  86.056 1.4651 15
  87.029 0.1965 2
  88.99 0.3466 3
  89.04 0.3931 4
  89.996 0.4369 4
  90.048 0.4261 4
  91.005 2.0655 21
  91.056 20.573 206
  92.007 0.2705 3
  92.06 1.6835 17
  93.017 2.6376 26
  93.071 0.1684 2
  94.019 0.3239 3
  95.033 0.4068 4
  97.049 1.6987 17
  99.064 1.7863 18
  100.07 0.5993 6
  101.079 0.2789 3
  103.002 2.5979 26
  104.009 0.7889 8
  105.017 38.7611 387
  105.072 0.8349 8
  106.019 4.5162 45
  107.026 1.8935 19
  108.032 0.1859 2
  112.071 0.2371 2
  113.08 35.0591 350
  114.081 3.7677 38
  115.004 0.4001 4
  115.077 1.2994 13
  117.02 2.0477 20
  117.071 0.2336 2
  118.024 0.7337 7
  119.033 5.6219 56
  120.038 1.1389 11
  121.048 2.3149 23
  122.05 0.2996 3
  128.103 3.8259 38
  129.019 1.5261 15
  129.107 0.6225 6
  130.024 0.373 4
  130.102 0.1751 2
  131.035 3.2713 33
  132.041 0.7613 8
  133.047 0.718 7
  134.053 0.1757 2
  135.064 6.3618 64
  136.066 0.8703 9
  136.989 3.2902 33
  137.062 0.2955 3
  137.994 0.7232 7
  138.998 0.3777 4
  143.034 0.3615 4
  145.051 2.0466 20
  146.054 0.3752 4
  147.064 0.3831 4
  148.991 0.2299 2
  149.996 0.3481 3
  151.005 6.1287 61
  152.012 30.7225 307
  153.016 5.5676 56
  154.01 2.5745 26
  154.077 0.2645 3
  155.033 3.1656 32
  156.035 0.4792 5
  157.047 0.5984 6
  159.065 0.5468 5
  160.071 0.2871 3
  161.08 0.981 10
  165.021 0.8394 8
  165.072 3.0917 31
  166.077 0.7503 7
  167.033 0.8825 9
  167.088 0.9359 9
  168.039 0.2406 2
  169.048 0.3963 4
  171.064 0.1861 2
  175.099 3.683 37
  176.1 0.5076 5
  177.021 0.263 3
  177.096 0.3047 3
  179.034 0.8295 8
  180.041 3.6741 37
  181.049 30.2777 302
  181.317 0.4525 5
  181.64 0.1274 1
  182.052 6.2965 63
  183.064 100 999
  183.549 0.2353 2
  183.733 0.3277 3
  184.067 17.4799 175
  184.682 0.2027 2
  185.064 4.3123 43
  186.066 0.4884 5
  193.051 6.4665 65
  193.172 0.1349 1
  194.054 1.4724 15
  195.064 19.7144 197
  195.194 0.522 5
  195.336 0.1354 1
  196.071 15.3206 153
  197.079 26.3653 263
  198.081 4.9492 49
  198.188 0.1359 1
  199.079 1.1716 12
  205.053 0.4026 4
  207.067 0.8066 8
  209.029 0.9793 10
  210.031 0.2124 2
  211.039 0.2433 2
  211.094 0.8334 8
  213.023 0.3481 3
  214.025 0.1664 2
  215.036 12.3073 123
  216.039 2.1898 22
  217.034 1.0718 11
  223.043 0.2575 3
  225.057 0.2269 2
  227.037 1.0447 10
  228.042 0.2582 3
  229.052 41.6401 416
  229.8 0.1373 1
  230.057 23.6119 236
  231.057 6.8715 69
  231.177 0.1567 2
  232.056 2.0823 21
  233.059 0.4235 4
  241.052 0.3083 3
  244.075 0.2415 2
  257.085 0.2358 2
  265.088 0.2506 3
  285.115 1.4547 15
  286.117 0.3374 3
  287.076 0.6202 6
  288.079 0.1881 2
  295.133 0.5255 5
  303.106 8.5535 85
  304.108 2.361 24
  305.104 1.234 12
  306.106 0.2473 2
  310.157 1.3273 13
  311.158 0.4105 4
  343.138 8.9392 89
  344.139 2.8064 28
  345.136 1.3036 13
  346.135 0.3139 3
  357.151 0.3501 3
  358.161 6.4229 64
  358.314 0.1311 1
  359.163 2.0468 20
  360.159 0.964 10
  361.16 0.258 3
//