ACCESSION: MSBNK-MSSJ-MSJ04029
RECORD_TITLE: ((tert-Butylthio)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 A_170628_luo4MB/146-4_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 286.1212.

CH$NAME: ((tert-Butylthio)methyl)diphenylsilane
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C₁₇H₂₂SSi
CH$EXACT_MASS: 286.121148
CH$SMILES: CC(C)(C)SC[SiH](c1ccccc1)c1ccccc1
CH$IUPAC: InChI=1S/C17H22SSi/c1-17(2,3)18-14-19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,19H,14H2,1-3H3
CH$LINK: INCHIKEY ZOMZNTVFADPPJE-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$SPLASH: splash10-001i-3910000000-e1e662ed0a200402feed
PK$NUM_PEAK: 121
PK$PEAK: m/z int. rel.int.
  27.024 1.2159 12
  28.006 4.1373 41
  28.031 0.3789 4
  29.039 8.5478 85
  31.99 1.7785 18
  39.024 2.6769 27
  40.03 0.3303 3
  41.04 12.2238 122
  41.067 0.1438 1
  41.092 0.1581 2
  42.045 0.8219 8
  43.001 0.3851 4
  44.98 0.3666 4
  45.989 0.2903 3
  50.016 0.3213 3
  51.024 1.2057 12
  52.032 0.3386 3
  52.985 5.2364 52
  53.04 0.3569 4
  53.989 0.5476 5
  55.001 0.7935 8
  55.055 1.0797 11
  56.063 0.6708 7
  57.071 33.8005 338
  58.074 1.5494 15
  58.997 0.582 6
  60.957 0.3153 3
  63.024 0.3104 3
  65.04 1.558 16
  65.993 0.398 4
  67.001 0.7859 8
  70.079 0.2644 3
  74.973 0.8425 8
  76.985 0.5702 6
  77.04 3.1757 32
  77.993 0.4237 4
  78.047 1.0564 11
  79.001 4.381 44
  79.055 0.4641 5
  80.004 0.5716 6
  81.016 0.638 6
  89.04 0.7314 7
  90.047 0.5016 5
  91.055 16.3997 164
  92.06 1.6717 17
  93.017 1.7586 18
  93.068 0.2404 2
  103.001 2.8739 29
  103.058 0.212 2
  104.006 0.7263 7
  105.017 31.6203 316
  106.019 3.9052 39
  107.022 1.333 13
  115.056 0.429 4
  117.017 0.6384 6
  118.023 0.2792 3
  119.033 1.7755 18
  119.087 0.3974 4
  120.035 0.3373 3
  121.045 0.1725 2
  128.064 0.2899 3
  129.017 1.2944 13
  130.026 1.2278 12
  131.032 1.1284 11
  132.031 0.2131 2
  136.989 5.2734 53
  137.994 1.4294 14
  139.003 1.5981 16
  140.002 0.2277 2
  141.005 0.1392 1
  143.033 0.2646 3
  148.989 0.2635 3
  149.997 0.4071 4
  151.004 9.6682 97
  152.012 34.4939 345
  153.015 6.6289 66
  154.01 3.077 31
  154.078 0.3135 3
  155.032 3.2874 33
  156.034 0.5636 6
  157.046 0.5189 5
  165.071 1.8802 19
  166.076 0.4928 5
  167.032 0.4073 4
  167.087 0.5155 5
  179.033 0.7669 8
  180.041 3.6877 37
  180.171 0.1576 2
  181.048 19.4576 194
  181.315 0.3243 3
  182.052 4.4563 45
  183.064 100 999
  183.735 0.3054 3
  184.066 18.6601 186
  184.689 0.224 2
  185.063 4.7258 47
  185.68 0.1347 1
  185.74 0.1484 1
  186.066 0.5596 6
  193.049 0.813 8
  194.056 0.3923 4
  195.064 9.1921 92
  196.071 9.1333 91
  197.075 2.9647 30
  198.075 0.6208 6
  208.073 0.4928 5
  213.021 0.2653 3
  215.036 12.7397 127
  216.038 2.2712 23
  217.034 1.1904 12
  227.036 0.8291 8
  228.041 0.3608 4
  229.051 3.6695 37
  230.059 21.3199 213
  231.061 4.5984 46
  232.057 2.0235 20
  233.058 0.3463 3
  271.097 0.2607 3
  286.121 8.5568 85
  287.123 2.2315 22
  288.12 0.8807 9
//