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MassBank Record: MSBNK-MSSJ-MSJ04011

2-(Dimethyl(phenyl)silyl)-1-methyl-1H-indole; GC-EI-TOF; MS; POSITIVE; 70 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-MSSJ-MSJ04011
RECORD_TITLE: 2-(Dimethyl(phenyl)silyl)-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, 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_161125_ma4MB/MYH-1037_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 265.1287.

CH$NAME: 2-(Dimethyl(phenyl)silyl)-1-methyl-1H-indole
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C17H19NSi
CH$EXACT_MASS: 265.128672
CH$SMILES: CN1C2=CC=CC=C2C=C1[Si](C)(C)C3=CC=CC=C3
CH$IUPAC: InChI=1S/C17H19NSi/c1-18-16-12-8-7-9-14(16)13-17(18)19(2,3)15-10-5-4-6-11-15/h4-13H,1-3H3
CH$LINK: INCHIKEY RMAKJHNNKMBJEA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:167452802

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 10.91 min

PK$SPLASH: splash10-0gb9-3590000000-487f7cb00ad0107511a8
PK$NUM_PEAK: 160
PK$PEAK: m/z int. rel.int.
  27.023 1.3414 13
  27.978 0.9172 9
  28.007 1.9766 20
  28.986 2.4896 25
  31.003 0.7173 7
  31.179 0.6174 6
  31.99 1.4724 15
  39.024 3.3358 33
  42.034 0.9061 9
  43.001 17.7471 177
  44.006 1.3925 14
  45.017 1.6013 16
  50.016 2.3208 23
  51.025 6.1963 62
  52.03 1.2548 13
  52.985 5.2568 53
  53.984 1.2415 12
  55 1.0682 11
  57.017 0.7351 7
  58.026 7.2556 72
  59.032 4.9282 49
  60.032 0.8017 8
  63.025 2.956 30
  65.041 2.5185 25
  65.991 1.1215 11
  66.041 0.6685 7
  67.003 1.5391 15
  69.017 1.3592 14
  74.018 0.6507 7
  75.023 1.5435 15
  76.032 1.8234 18
  76.984 1.488 15
  77.04 6.8315 68
  78.002 0.6485 6
  78.049 5.208 52
  79.001 2.3164 23
  81.017 1.1193 11
  83.032 1.2992 13
  89.041 5.2902 53
  90.044 1.2881 13
  90.997 0.8439 8
  91.056 11.2133 112
  92.061 1.1504 11
  93.016 3.5934 36
  94.019 0.7795 8
  95.035 1.0816 11
  101.038 1.3014 13
  102.048 2.634 26
  103 2.1187 21
  103.055 2.6273 26
  104.011 0.7995 8
  104.06 0.8373 8
  105.018 13.7162 137
  106.018 2.0565 21
  107.032 2.8139 28
  110.029 1.5235 15
  110.535 1.0682 11
  114.039 0.6752 7
  115.055 4.1664 42
  116.058 1.5235 15
  116.533 1.4902 15
  117.036 6.5161 65
  117.54 2.9938 30
  118.034 1.166 12
  118.542 0.5663 6
  119.032 6.2962 63
  120.035 1.7523 18
  121.048 8.1151 81
  122.051 1.0261 10
  123.541 1.6346 16
  124.045 6.7226 67
  124.179 0.5819 6
  124.549 4.7505 47
  125.052 5.5633 56
  125.556 1.4613 15
  128.054 2.252 22
  129.017 1.8789 19
  129.063 1.488 15
  130.019 1.9522 20
  130.067 6.3517 63
  131.032 2.7717 28
  131.073 3.0493 30
  132.03 2.4452 24
  132.565 2.1831 22
  133.047 2.9271 29
  134.048 2.6251 26
  135.065 4.2952 43
  143.027 2.6206 26
  143.07 1.8811 19
  144.029 2.0388 20
  144.082 6.1741 62
  145.048 2.845 28
  146.045 2.745 27
  147.051 1.1038 11
  148.059 0.6041 6
  156.029 3.6556 37
  157.041 0.7795 8
  158.042 2.2498 22
  159.056 1.1282 11
  160.056 0.8684 9
  161.085 0.5863 6
  165.072 3.8244 38
  166.074 1.0549 11
  167.025 0.9683 10
  169.042 0.7085 7
  170.044 2.9627 30
  171.034 0.7706 8
  172.06 3.1181 31
  173.065 1.4058 14
  174.071 0.9483 9
  177.06 0.6863 7
  178.079 2.765 28
  178.301 0.7995 8
  179.096 1.2548 13
  181.05 1.0016 10
  186.069 1.4502 14
  187.08 1.6124 16
  188.09 4.9903 50
  189.088 0.9772 10
  190.074 0.9727 10
  191.035 1.0061 10
  191.079 1.1526 12
  192.08 1.1415 11
  193.05 1.4502 14
  194.045 0.9417 9
  195.062 1.1238 11
  203.082 0.8639 9
  204.081 4.3796 44
  205.083 1.1726 12
  206.096 4.1309 41
  207.104 6.5139 65
  208.105 1.5391 15
  208.174 0.5797 6
  209.086 0.6974 7
  218.108 0.7884 8
  219.053 3.6978 37
  220.059 3.6245 36
  221.072 1.3303 13
  222.079 0.9528 10
  230.034 0.5108 5
  232.06 3.0226 30
  233.067 3.0115 30
  234.074 6.6316 66
  235.078 2.4763 25
  246.07 0.9683 10
  247.085 1.126 11
  248.09 45.4749 454
  248.365 2.3119 23
  249.094 12.7235 127
  249.385 0.6218 6
  250.105 71.3305 713
  251.108 15.7283 157
  252.106 3.7355 37
  253.11 0.6285 6
  264.122 5.9342 59
  265.129 100 999
  266.132 22.4576 224
  266.256 0.7862 8
  267.13 6.2052 62
  268.131 1.0949 11
//

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