ACCESSION: MSBNK-MSSJ-MSJ04012
RECORD_TITLE: Dibenzo[b,d]thiophen-4-yldimethylsilane; 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: Yuanhong Ma, Liang Zhang, Yong Luo, Masayoshi Nishiura and Zhaomin Hou; J. Am. Chem. Soc. 2017, 139, 12434−12437. DOI: 10.1021/jacs.7b08053
COMMENT: Original ID of the mass spectral data is A_161207_ma4MB/MYH-802_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 242.0585.

CH$NAME: Dibenzo[b,d]thiophen-4-yldimethylsilane
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C₁₄H₁₄SSi
CH$EXACT_MASS: 242.058548
CH$SMILES: C[SiH](C)c1cccc2c1sc1ccccc12
CH$IUPAC: InChI=1S/C14H14SSi/c1-16(2)13-9-5-7-11-10-6-3-4-8-12(10)15-14(11)13/h3-9,16H,1-2H3
CH$LINK: INCHIKEY JXHFJGNSTCTXFP-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 1.67 min.
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
AC$CHROMATOGRAPHY: RETENTION_TIME 10.53 min

PK$SPLASH: splash10-004i-2490000000-151f80d5c62ad7b160ff
PK$NUM_PEAK: 149
PK$PEAK: m/z int. rel.int.
  27.977 0.7561 8
  28.006 1.4173 14
  28.985 1.2032 12
  31.001 0.8272 8
  31.99 0.9382 9
  39.024 0.8088 8
  41.993 0.3052 3
  43.001 17.3116 173
  44.002 1.1683 12
  44.98 0.4798 5
  44.998 0.631 6
  45.017 0.2337 2
  50.016 0.3909 4
  51.024 0.9991 10
  52.986 2.0322 20
  55.001 0.3794 4
  57.017 0.473 5
  58.025 3.488 35
  59.032 1.7812 18
  60.026 0.1702 2
  60.958 0.2846 3
  62.017 0.3643 4
  63.024 1.3667 14
  65.04 0.3672 4
  67.001 0.4234 4
  68.981 0.9883 10
  74.016 0.7922 8
  74.974 0.6857 7
  75.024 1.9321 19
  76.031 0.8098 8
  76.986 0.9135 9
  77.04 0.9679 10
  79.003 0.2265 2
  81.989 0.2779 3
  86.017 0.4493 4
  87.025 0.8703 9
  88.031 0.3976 4
  89.04 1.0767 11
  91.002 0.2003 2
  91.055 0.7087 7
  92.495 0.2312 2
  92.982 0.3113 3
  98.017 0.521 5
  99.025 0.9071 9
  100.031 0.3393 3
  100.986 0.2882 3
  101.04 0.8934 9
  102.048 0.3756 4
  103.002 0.4452 4
  105.007 0.228 2
  105.503 1.3747 14
  106.005 0.7565 8
  106.509 0.9391 9
  107.009 0.243 2
  111.025 0.2363 2
  113.04 1.0098 10
  113.518 3.794 38
  114.019 0.7682 8
  114.517 0.3484 3
  115.056 1.7054 17
  120.526 1.5462 15
  121.029 2.0518 20
  121.529 0.4964 5
  122.026 0.2763 3
  125.04 2.0777 21
  126.047 1.2512 12
  127.055 0.7027 7
  128.063 0.3017 3
  129.017 0.5019 5
  134.022 0.2086 2
  137.041 0.7653 8
  138.048 1.3734 14
  139.056 7.3241 73
  140.061 1.0509 10
  141.016 0.3429 3
  141.07 0.5849 6
  145.013 0.2449 2
  149.041 0.6583 7
  150.048 5.771 58
  151.055 7.8083 78
  151.162 0.1258 1
  152.063 8.0651 81
  153.018 0.4824 5
  153.069 1.5681 16
  154.072 0.1842 2
  155.032 0.3378 3
  158.021 0.5981 6
  160.99 0.5194 5
  162.047 0.275 3
  163.056 1.913 19
  164.063 1.4648 15
  165.071 8.4184 84
  166.024 0.2741 3
  166.076 1.8311 18
  167.032 0.5332 5
  167.085 0.792 8
  169.015 0.1657 2
  171.029 1.0335 10
  175.004 0.2299 2
  177.017 0.2014 2
  178.079 0.2879 3
  179.032 0.3947 4
  179.084 0.2491 2
  180.04 0.5352 5
  181.048 1.7335 17
  182.022 1.1962 12
  183.029 1.9095 19
  184.037 11.0231 110
  184.989 0.7621 8
  185.04 1.7236 17
  186.033 0.5323 5
  186.999 0.2034 2
  191.034 0.263 3
  193.048 0.5053 5
  195.062 1.0481 10
  196.036 0.3656 4
  197.044 5.9618 60
  198.049 1.1588 12
  199.044 0.3474 3
  201.02 1.1667 12
  202.021 0.2342 2
  208.989 0.2776 3
  209.06 0.1192 1
  209.997 1.3209 13
  211.005 7.3653 74
  211.126 0.1206 1
  212.009 2.3057 23
  213.007 0.8718 9
  214.012 0.1827 2
  223.005 3.3015 33
  224.01 1.3556 14
  225.02 7.0657 71
  225.136 0.129 1
  225.296 0.2501 2
  226.024 2.1152 21
  227.035 100 999
  227.779 0.2718 3
  228.038 20.0315 200
  228.809 0.1571 2
  229.033 9.0103 90
  229.265 0.2902 3
  230.035 1.4543 15
  231.031 0.2836 3
  239.035 0.4564 5
  241.051 5.4985 55
  242.059 40.4383 404
  243.061 8.826 88
  244.057 3.8138 38
  245.058 0.6334 6
//