ACCESSION: MSBNK-MSSJ-MSJ04028
RECORD_TITLE: (((4-Phenoxybutyl)thio)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/145-3_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 378.1474.

CH$NAME: (((4-Phenoxybutyl)thio)methyl)diphenylsilane
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C₂₃H₂₆OSSi
CH$EXACT_MASS: 378.147363
CH$SMILES: c1cccc(c1)[SiH](CSCCCCOc1ccccc1)c1ccccc1
CH$IUPAC: InChI=1S/C23H26OSSi/c1-4-12-21(13-5-1)24-18-10-11-19-25-20-26(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,26H,10-11,18-20H2
CH$LINK: INCHIKEY BCOWBZFFNHRZNF-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 11.67 min.
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
AC$CHROMATOGRAPHY: RETENTION_TIME 13.40 min

PK$SPLASH: splash10-001r-4920000000-a6e38efc7a333619e502
PK$NUM_PEAK: 203
PK$PEAK: m/z int. rel.int.
  27.024 1.2678 13
  28.006 5.0903 51
  28.031 0.5956 6
  29.039 2.8835 29
  31.99 1.9709 20
  39.024 3.3941 34
  40.031 0.4529 5
  41.04 3.5593 36
  42.046 0.2051 2
  43.001 0.5019 5
  43.055 0.3622 4
  44.981 2.3804 24
  45.988 1.7549 18
  46.996 1.5002 15
  50.017 0.4539 5
  51.024 2.6268 26
  52.031 0.3298 3
  52.986 3.932 39
  53.04 1.5362 15
  53.988 0.3425 3
  54.047 2.407 24
  55.001 0.631 6
  55.019 0.4254 4
  55.055 12.8146 128
  56.062 1.4492 14
  58.996 0.9007 9
  60.004 2.8224 28
  61.012 9.954 99
  61.05 0.1196 1
  61.074 0.1219 1
  62.015 0.3697 4
  63.024 0.6132 6
  64.031 0.3187 3
  65.04 8.1515 81
  65.105 0.1279 1
  66.047 1.6131 16
  67.001 0.7256 7
  67.056 1.6336 16
  68.063 2.6671 27
  69.071 0.7867 8
  73.012 0.3701 4
  74.02 0.9847 10
  74.973 0.6288 6
  75.027 0.6887 7
  76.032 0.5395 5
  76.986 0.3859 4
  77.04 20.7973 208
  77.993 0.2504 3
  78.046 2.3001 23
  79.001 3.5316 35
  79.056 3.711 37
  80.005 0.3753 4
  80.06 0.2608 3
  81.017 0.497 5
  85.012 0.575 6
  86.02 0.1885 2
  87.028 7.6319 76
  88.033 0.659 7
  89.043 3.3949 34
  90.047 0.6035 6
  91.056 26.6885 267
  91.196 0.1798 2
  92.06 2.2177 22
  93.02 2.1721 22
  93.07 0.4041 4
  94.043 9.8092 98
  95.049 1.4147 14
  101.044 0.6885 7
  102.051 4.2236 42
  103.002 2.3124 23
  103.059 8.3344 83
  104.007 0.6331 6
  104.062 0.7811 8
  105.017 36.62 366
  106.019 4.162 42
  106.076 0.1836 2
  107.051 12.0212 120
  108.054 0.8788 9
  115.056 0.6308 6
  117.018 0.6555 7
  117.072 0.3504 4
  118.024 0.4735 5
  119.033 3.4308 34
  119.087 0.4646 5
  120.058 6.6068 66
  121.012 1.6376 16
  121.057 0.839 8
  122.017 0.2561 3
  123.027 0.2318 2
  128.064 0.3802 4
  129.018 1.533 15
  129.071 0.3166 3
  130.024 0.3176 3
  131.033 1.3321 13
  131.087 0.3772 4
  132.059 0.2946 3
  133.066 0.2595 3
  134.018 0.1954 2
  135.027 0.3559 4
  136.989 2.277 23
  137.993 0.3541 4
  139.02 0.4454 4
  143.033 0.3504 4
  145.05 0.3063 3
  147.083 2.214 22
  148.09 8.9688 90
  148.188 0.1312 1
  149.097 3.1692 32
  149.997 0.2804 3
  150.102 0.3717 4
  151.005 5.0469 50
  151.105 0.1421 1
  152.012 5.0838 51
  152.064 1.5536 16
  153.014 1.3483 13
  153.07 0.5804 6
  154.012 0.5578 6
  154.08 0.3697 4
  155.033 3.2392 32
  156.035 0.5642 6
  157.048 0.6553 7
  159.063 0.2144 2
  165.021 1.0198 10
  165.072 3.0566 31
  166.078 0.8145 8
  167.031 0.5693 6
  167.087 1.3336 13
  168.041 0.2039 2
  168.092 0.2237 2
  169.049 0.4002 4
  172.072 0.2816 3
  177.02 0.2284 2
  179.034 0.8236 8
  180.042 3.797 38
  181.049 28.5654 285
  181.319 0.4824 5
  182.052 5.4433 54
  183.065 100 999
  183.548 0.2081 2
  183.733 0.3577 4
  184.067 17.5962 176
  184.707 0.2172 2
  185.064 4.3932 44
  185.712 0.1397 1
  186.067 0.4707 5
  191.036 0.2577 3
  193.049 1.4866 15
  194.054 0.6456 6
  195.065 15.1204 151
  196.071 11.1282 111
  197.079 33.7355 337
  197.754 0.1565 2
  198.081 6.2722 63
  198.711 0.1223 1
  199.062 4.1881 42
  199.172 0.148 1
  200.062 0.7377 7
  201.06 0.2525 3
  205.054 0.4002 4
  207.055 0.6806 7
  209.046 0.3826 4
  211.059 1.9221 19
  212.062 0.5887 6
  213.022 0.3917 4
  213.073 0.6373 6
  214.028 0.3015 3
  215.036 2.144 21
  216.038 0.4515 5
  217.033 0.1933 2
  227.037 0.6489 6
  228.041 0.2162 2
  229.052 7.9946 80
  229.173 0.1446 1
  230.056 2.0458 20
  231.048 0.8554 9
  232.055 0.1741 2
  241.053 0.2233 2
  243.035 0.2549 3
  257.081 0.3229 3
  271.098 0.231 2
  275.09 8.2461 82
  275.229 0.1433 1
  276.095 2.7837 28
  277.094 0.6813 7
  285.114 64.5951 645
  285.857 0.2075 2
  285.955 0.2229 2
  286.117 15.3686 154
  287.112 6.7052 67
  288.114 1.2352 12
  289.108 0.4488 4
  290.115 0.5918 6
  301.11 0.313 3
  322.086 0.5165 5
  330.146 0.3134 3
  331.148 0.2263 2
  363.124 2.2395 22
  364.127 0.6703 7
  365.122 0.3031 3
  378.147 8.0602 81
  379.15 2.4948 25
  380.146 0.9544 10
  381.146 0.2172 2
//