ACCESSION: MSBNK-MSSJ-MSJ04017
RECORD_TITLE: ((Pentylthio)methylene)bis(phenylsilane); 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/141-1-1_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 330.1294.

CH$NAME: ((Pentylthio)methylene)bis(phenylsilane)
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C₁₈H₂₆SSi₂
CH$EXACT_MASS: 330.129375
CH$SMILES: CCCCCSC([SiH2]c1ccccc1)[SiH2]c1ccccc1
CH$IUPAC: InChI=1S/C18H26SSi2/c1-2-3-10-15-19-18(20-16-11-6-4-7-12-16)21-17-13-8-5-9-14-17/h4-9,11-14,18H,2-3,10,15,20-21H2,1H3
CH$LINK: INCHIKEY NPXZBHYKGCNMQR-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 11.34 min

PK$SPLASH: splash10-053r-3910000000-8f3d84fcf6b26642207f
PK$NUM_PEAK: 211
PK$PEAK: m/z int. rel.int.
  27.024 6.4596 65
  28.006 17.73 177
  28.031 0.7505 7
  28.985 5.0003 50
  29.039 14.0374 140
  29.066 0.3515 4
  29.084 0.2914 3
  31.99 7.0937 71
  39.024 3.3851 34
  39.964 0.5865 6
  40.031 0.4701 5
  41.04 19.1183 191
  41.071 0.3061 3
  41.092 0.2841 3
  41.994 0.5382 5
  42.047 3.7585 38
  43.001 4.2344 42
  43.055 42.6123 426
  43.992 0.4745 5
  44.058 1.4271 14
  44.98 0.741 7
  45.016 0.6846 7
  46.996 0.7842 8
  50.016 0.4928 5
  51.024 1.4073 14
  52.031 0.6202 6
  52.985 7.0571 71
  53.04 1.2301 12
  53.988 0.7974 8
  55.001 2.5291 25
  55.055 5.7692 58
  60.004 0.3083 3
  60.958 2.0304 20
  61.012 0.4598 5
  65.04 1.9499 19
  65.994 0.6063 6
  67.001 2.0978 21
  67.055 0.8201 8
  68.063 1.1467 11
  68.963 1.545 15
  69.017 0.4525 5
  69.071 3.5344 35
  69.971 1.0808 11
  70.078 0.7622 8
  71.087 1.4688 15
  72.958 1.4908 15
  73.965 1.0566 11
  74.973 8.5926 86
  75.979 1.5779 16
  76.982 0.9614 10
  77.04 6.3945 64
  77.99 0.5572 6
  78.047 3.7695 38
  79.001 5.1277 51
  79.055 4.0287 40
  80.006 0.8735 9
  81.017 6.3696 64
  82.019 0.6802 7
  89.04 0.8406 8
  89.996 0.4781 5
  90.048 1.2536 13
  91.005 0.4781 5
  91.056 34.9196 349
  91.188 0.3441 3
  92.009 0.6055 6
  92.061 4.1239 41
  93.017 5.6396 56
  93.071 3.481 35
  94.019 0.6766 7
  95.032 1.594 16
  96.039 0.4108 4
  97.047 0.4723 5
  101.043 1.1408 11
  102.95 2.1007 21
  103.002 3.3638 34
  103.057 0.3961 4
  103.958 16.7854 168
  104.007 0.9233 9
  104.064 0.7366 7
  104.962 3.2664 33
  105.017 58.2679 582
  105.955 2.0246 20
  106.02 7.8326 78
  106.069 0.2878 3
  106.967 0.3449 3
  107.033 41.6135 416
  108.035 4.9234 49
  109.031 1.7141 17
  115.054 0.5843 6
  117.018 2.1249 21
  117.068 0.4122 4
  118.025 1.4432 14
  119.033 17.4444 174
  120.04 7.6407 76
  121.048 18.7265 187
  122.05 2.4603 25
  123.046 0.7256 7
  129.019 0.8918 9
  130.015 0.3632 4
  131.034 1.6966 17
  131.988 0.4342 4
  132.044 0.3039 3
  132.994 1.0024 10
  133.044 0.3859 4
  136.989 9.7788 98
  137.993 1.903 19
  139.004 3.7973 38
  140.004 0.6121 6
  141.002 0.3463 3
  143.033 0.6641 7
  144.994 4.7909 48
  145.05 1.2367 12
  146 2.1293 21
  146.056 0.8794 9
  147.01 9.6704 97
  147.121 0.402 4
  148.017 33.2992 333
  149.022 10.6567 106
  149.123 0.2892 3
  150.017 3.2166 32
  151.006 10.5806 106
  152.012 8.3839 84
  153.02 14.8677 149
  153.124 0.3991 4
  154.021 2.3006 23
  155.027 1.985 20
  157.049 0.4152 4
  165.02 0.5382 5
  165.071 2.2076 22
  166.079 0.4203 4
  166.982 11.881 119
  167.034 1.4703 15
  167.088 0.5418 5
  167.984 2.3255 23
  168.992 2.3072 23
  169.048 0.5697 6
  169.997 0.4379 4
  170.995 0.3471 3
  178.982 2.2443 22
  179.035 1.0661 11
  179.989 2.9047 29
  180.041 1.7998 18
  180.997 100 999
  181.313 0.331 3
  181.624 0.4203 4
  181.74 0.2438 2
  182 25.3722 253
  182.553 0.3017 3
  182.585 0.3222 3
  182.641 0.3705 4
  182.996 12.7853 128
  183.064 96.6896 966
  183.654 0.555 6
  183.998 2.5745 26
  184.067 16.628 166
  184.604 0.3214 3
  184.66 0.3317 3
  184.739 0.3588 4
  185 0.6517 7
  185.063 4.1773 42
  185.145 0.2965 3
  185.214 0.3266 3
  186.07 0.3786 4
  186.239 0.3478 3
  193.048 2.6074 26
  194.057 1.6285 16
  195.013 0.9577 10
  195.064 6.0115 60
  196.069 1.6453 16
  197.08 12.1893 122
  198.082 2.2172 22
  199.079 0.5872 6
  207.067 4.7433 47
  208.07 0.9907 10
  209.082 5.9698 60
  210.084 1.0639 11
  211.076 0.5887 6
  215.036 3.0402 30
  216.04 0.6143 6
  219.014 0.3866 4
  221.02 0.8172 8
  221.084 0.7681 8
  222.025 0.3595 4
  222.09 3.3111 33
  223.041 3.7058 37
  223.097 3.2489 32
  224.047 1.7998 18
  225.056 7.361 74
  226.062 4.5603 46
  227.069 2.8681 29
  228.07 0.7747 8
  229.059 0.5052 5
  243.014 0.5433 5
  245.029 0.9343 9
  251.074 0.5265 5
  253.088 0.6729 7
  255.015 0.4899 5
  257.029 14.7835 148
  258.031 3.7182 37
  259.043 19.1292 191
  260.046 5.8482 58
  261.043 2.6587 27
  262.045 0.7103 7
  285.113 1.6599 17
  286.113 0.3881 4
  287.117 0.2643 3
  329.121 1.9887 20
  330.129 18.9557 189
  331.131 5.6996 57
  332.128 2.7942 28
  333.13 0.7674 8
//