ACCESSION: MSBNK-MSSJ-MSJ04007
RECORD_TITLE: 5-(Diphenylsilyl)-1-methyl-1H-indole; 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, Baoli Wang, Liang Zhang, and Zhaomin Hou; J. Am. Chem. Soc. 2016, 138, 3663−3666. DOI: 10.1021/jacs.6b01349
COMMENT: Original ID of the mass spectral data is A-151216_ma4MB/MYH-686_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 200 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 313.1287.

CH$NAME: 5-(Diphenylsilyl)-1-methyl-1H-indole
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C₂₁H₁₉NSi
CH$EXACT_MASS: 313.128672
CH$SMILES: Cn1ccc2cc(ccc12)[SiH](c1ccccc1)c1ccccc1
CH$IUPAC: InChI=1S/C21H19NSi/c1-22-15-14-17-16-20(12-13-21(17)22)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,23H,1H3
CH$LINK: INCHIKEY UJCZHORZACISIH-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$CHROMATOGRAPHY: COLUMN_NAME ZB1-MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
AC$CHROMATOGRAPHY: RETENTION_TIME 12.36 min

PK$SPLASH: splash10-03ei-2975000000-2e709209a3e6869ce0a5
PK$NUM_PEAK: 216
PK$PEAK: m/z int. rel.int.
  27.024 0.446 4
  27.978 0.4159 4
  28.007 1.1259 11
  28.986 0.5905 6
  31.99 0.6076 6
  39.025 1.0837 11
  42.035 0.9486 9
  43.001 0.2851 3
  43.993 0.3208 3
  50.017 1.0048 10
  51.025 4.0308 40
  52.032 1.3188 13
  52.986 6.2424 62
  53.04 0.3323 3
  53.985 0.6442 6
  55.001 0.553 6
  55.055 0.25 2
  62.017 0.3133 3
  63.025 1.2757 13
  65.04 0.4691 5
  65.994 0.5693 6
  67.001 0.6377 6
  74.018 0.2529 3
  75.025 0.5221 5
  76.033 1.0019 10
  76.986 1.1252 11
  77.041 7.7081 77
  77.993 0.4253 4
  78.049 11.2666 113
  78.113 0.1655 2
  78.519 0.3297 3
  79.002 5.0965 51
  79.053 0.9715 10
  80.004 0.6274 6
  80.055 0.1238 1
  81.016 0.3466 3
  87.026 0.2969 3
  88.032 0.4265 4
  89.041 2.2662 23
  89.993 0.2982 3
  90.047 0.9669 10
  91.001 0.5908 6
  91.056 3.0041 30
  92.007 0.3119 3
  93.017 0.3124 3
  101.041 0.5756 6
  102.049 2.3724 24
  103.002 4.3961 44
  103.056 3.6977 37
  103.527 0.3355 3
  104.007 1.1753 12
  104.054 0.4901 5
  104.535 0.2237 2
  105.017 44.1332 441
  106.019 5.4377 54
  107.016 1.6923 17
  108.027 0.3003 3
  109.526 0.3646 4
  110.03 2.4726 25
  110.531 0.4949 5
  114.04 0.3678 4
  115.055 2.4741 25
  116.01 0.6604 7
  116.054 0.9751 10
  116.534 1.7663 18
  117.02 1.7612 18
  117.542 11.6575 116
  117.625 0.1707 2
  118.043 2.757 28
  118.541 0.6828 7
  119.029 0.4732 5
  126.048 0.3198 3
  127.056 0.4713 5
  128.054 1.9351 19
  129.017 3.1756 32
  129.061 1.3412 13
  130.017 2.2306 22
  130.067 12.0883 121
  131.032 2.444 24
  131.075 10.2 102
  132.03 2.1709 22
  132.079 1.1883 12
  133.032 0.5228 5
  134.042 0.4679 5
  135.047 0.2902 3
  139.057 0.9286 9
  140.056 0.3362 3
  141.018 0.4174 4
  141.07 0.2319 2
  142.018 0.7158 7
  143.023 1.104 11
  144.028 0.9176 9
  145.03 0.1826 2
  148.046 0.3694 4
  150.047 0.2257 2
  151.056 0.6112 6
  152.064 1.8515 18
  153.018 0.8003 8
  153.071 0.9332 9
  153.541 0.2574 3
  154.024 0.5939 6
  154.076 0.8867 9
  154.549 0.7639 8
  155.033 4.0508 40
  155.557 0.7584 8
  156.029 15.8041 158
  156.294 0.1491 1
  156.565 2.2152 22
  157.032 2.9256 29
  158.043 6.2448 62
  159.046 1.0621 11
  160.046 0.2745 3
  163.056 0.6563 7
  164.063 0.611 6
  165.019 0.2037 2
  165.072 4.065 41
  166.025 0.4357 4
  166.074 0.9036 9
  167.032 1.3239 13
  167.084 0.9265 9
  168.035 0.4482 4
  168.086 0.2767 3
  169.04 0.348 3
  170.045 0.1898 2
  176.064 0.4862 5
  177.016 0.1635 2
  177.069 0.4622 5
  178.024 0.2305 2
  178.079 1.3487 13
  179.034 1.932 19
  179.084 0.5746 6
  180.041 8.223 82
  180.167 0.1838 2
  181.048 30.4775 304
  182.053 8.8106 88
  182.239 0.1262 1
  183.061 4.2049 42
  183.159 0.1628 2
  184.062 0.774 8
  185.062 0.2037 2
  189.071 0.4901 5
  190.068 0.9077 9
  191.032 1.8864 19
  191.076 1.0883 11
  192.038 1.3992 14
  193.046 2.5812 26
  194.048 0.9371 9
  195.055 0.4925 5
  196.059 0.2435 2
  203.033 0.2372 2
  203.075 0.2122 2
  204.083 4.0079 40
  205.048 1.6271 16
  206.046 2.0427 20
  206.099 2.8657 29
  206.235 0.1344 1
  207.062 4.7266 47
  207.106 4.1334 41
  208.067 2.7009 27
  209.073 1.2441 12
  210.075 1.1449 11
  211.079 0.2548 3
  216.034 0.1989 2
  217.041 0.618 6
  218.044 1.4941 15
  219.051 4.6825 47
  220.058 4.156 42
  221.062 1.1119 11
  222.071 0.6038 6
  230.045 0.9544 10
  231.051 0.3798 4
  232.059 4.6187 46
  233.067 10.5549 105
  233.197 0.1787 2
  233.333 0.1876 2
  234.075 38.2916 383
  234.206 1.0529 11
  235.082 47.6034 476
  236.089 52.4971 524
  236.793 0.1353 1
  236.853 0.1481 1
  237.091 11.0316 110
  237.216 0.1676 2
  237.309 0.1481 1
  238.089 2.3597 24
  239.089 0.8196 8
  240.09 0.2182 2
  241.049 0.2755 3
  243.055 0.1895 2
  257.074 0.1462 1
  265.047 0.3013 3
  266.052 0.2004 2
  267.061 0.4024 4
  268.066 0.2753 3
  269.076 0.2442 2
  270.076 0.2131 2
  281.056 0.3923 4
  282.06 0.1599 2
  283.088 0.1476 1
  293.066 0.3454 3
  294.073 0.6433 6
  295.079 0.5002 5
  296.091 0.8877 9
  297.096 0.5342 5
  298.106 0.9968 10
  299.106 0.2481 2
  308.09 0.3174 3
  310.106 1.4806 15
  311.11 0.5517 6
  312.122 18.4723 185
  312.372 0.1532 2
  313.129 100 999
  313.762 0.1789 2
  314.131 26.8884 269
  315.13 6.4642 65
  316.131 0.9985 10
//