ACCESSION: MSBNK-MSSJ-MSJ04024
RECORD_TITLE: Diphenyl(((3-phenylpropyl)thio)methyl)silane; 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/144-2_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 348.1368.

CH$NAME: Diphenyl(((3-phenylpropyl)thio)methyl)silane
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C₂₂H₂₄SSi
CH$EXACT_MASS: 348.136798
CH$SMILES: c1cccc(c1)[SiH](CSCCCc1ccccc1)c1ccccc1
CH$IUPAC: InChI=1S/C22H24SSi/c1-4-11-20(12-5-1)13-10-18-23-19-24(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,11-12,14-17,24H,10,13,18-19H2
CH$LINK: INCHIKEY HVCSVMMUENIEHL-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 12.71 min

PK$SPLASH: splash10-001i-2910000000-6b4a4107ac81b66fe41d
PK$NUM_PEAK: 153
PK$PEAK: m/z int. rel.int.
  27.024 0.4517 5
  28.006 2.2065 22
  31.99 0.8871 9
  39.024 2.1342 21
  41.04 4.1267 41
  43.001 0.4407 4
  44.98 0.9825 10
  45.988 0.8564 9
  46.996 0.7582 8
  50.016 0.3247 3
  51.024 1.766 18
  52.032 0.4426 4
  52.985 4.4393 44
  53.04 0.2883 3
  53.988 0.4026 4
  55.001 0.6386 6
  61.012 7.7111 77
  62.015 0.3454 3
  63.024 0.7764 8
  65.04 6.1387 61
  65.993 0.2961 3
  66.044 0.3729 4
  67.001 0.7477 7
  74.973 0.6549 7
  76.986 0.4197 4
  77.04 4.1254 41
  77.993 0.2937 3
  78.047 1.9478 19
  79.001 3.7768 38
  79.056 1.3555 14
  80.004 0.4436 4
  81.017 0.5559 6
  89.04 1.2135 12
  90.048 0.8159 8
  91.056 56.7856 567
  91.241 0.1342 1
  91.477 0.1352 1
  91.528 0.1518 2
  92.06 4.7094 47
  93.017 2.2029 22
  93.067 0.282 3
  94.019 0.2512 3
  102.048 0.2797 3
  103.002 2.5274 25
  103.056 1.3097 13
  104.007 0.6575 7
  104.064 2.434 24
  105.017 35.0422 350
  105.072 2.9296 29
  106.019 4.0972 41
  106.075 0.2722 3
  107.024 1.4257 14
  108.033 0.1532 2
  109.013 0.195 2
  115.056 2.6691 27
  116.063 0.6068 6
  117.018 0.6881 7
  117.072 15.2156 152
  117.206 0.4853 5
  118.025 0.5321 5
  118.079 52.2105 522
  118.559 0.1123 1
  119.033 2.5125 25
  119.083 5.3574 54
  120.039 0.6509 7
  120.087 0.2699 3
  121.048 0.4577 5
  123.029 0.8594 9
  128.064 0.2965 3
  129.017 1.1496 11
  130.023 0.2733 3
  131.033 1.1773 12
  131.088 0.3687 4
  132.094 0.2649 3
  136.989 3.4323 34
  137.995 0.8883 9
  138.999 0.4555 5
  143.033 0.3299 3
  145.048 0.3749 4
  149.997 0.2909 3
  151.005 5.0615 51
  152.012 25.57 255
  153.016 4.7516 47
  154.01 2.3121 23
  154.079 0.2726 3
  155.033 3.4599 35
  156.035 0.5477 5
  157.048 0.6557 7
  158.055 0.1956 2
  165.02 0.5629 6
  165.072 2.6582 27
  166.078 0.6631 7
  167.032 0.4675 5
  167.087 1.1842 12
  168.037 0.1892 2
  169.048 0.2682 3
  179.035 1.7944 18
  180.041 4.0587 41
  180.17 0.1337 1
  181.049 29.5 295
  181.318 0.4415 4
  182.052 6.0153 60
  183.064 100 999
  183.734 0.3107 3
  184.067 18.0237 180
  184.692 0.2051 2
  185.064 4.5173 45
  185.707 0.1278 1
  186.066 0.4968 5
  192.043 0.2731 3
  193.049 1.3167 13
  194.055 0.5956 6
  195.064 14.6022 146
  195.195 0.3949 4
  196.071 14.285 143
  196.27 0.1239 1
  197.079 11.3034 113
  198.08 2.1735 22
  199.079 0.4759 5
  207.035 0.1882 2
  213.021 0.3004 3
  215.036 10.2905 103
  216.039 1.8987 19
  217.034 0.9375 9
  222.087 0.2447 2
  227.037 0.8277 8
  228.04 0.2195 2
  229.052 13.8281 138
  230.058 10.5812 106
  231.058 2.851 28
  232.057 0.9563 10
  233.061 0.2024 2
  255.067 1.1605 12
  256.069 0.2638 3
  257.082 1.4257 14
  258.085 0.3311 3
  259.089 0.2614 3
  269.082 0.3191 3
  270.089 0.3333 3
  271.093 0.1636 2
  272.101 0.445 4
  300.133 1.3775 14
  301.14 1.4899 15
  302.142 0.3943 4
  306.086 0.1899 2
  333.114 1.5841 16
  334.116 0.4986 5
  335.112 0.21 2
  347.13 0.2759 3
  348.137 12.0357 120
  349.139 3.6282 36
  350.137 1.3767 14
  351.138 0.2987 3
//