ACCESSION: MSBNK-MSSJ-MSJ04009
RECORD_TITLE: (2-Chlorophenyl)dimethylsilane; 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-923_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 170.0319.

CH$NAME: (2-Chlorophenyl)dimethylsilane
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C₈H₁₁ClSi
CH$EXACT_MASS: 170.031855
CH$SMILES: Clc1ccccc1[SiH](C)C
CH$IUPAC: InChI=1S/C8H11ClSi/c1-10(2)8-6-4-3-5-7(8)9/h3-6,10H,1-2H3
CH$LINK: INCHIKEY MJFCNFYMQKDFRU-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 7.26 min

PK$SPLASH: splash10-0a4i-9600000000-8e1f46d6bda2151a3123
PK$NUM_PEAK: 96
PK$PEAK: m/z int. rel.int.
  21.603 0.7702 8
  26.015 0.6885 7
  27.025 4.4086 44
  27.977 1.6757 17
  28.006 2.8683 29
  28.986 2.6139 26
  29.085 0.5788 6
  31.001 1.545 15
  31.989 1.9161 19
  38.017 0.8145 8
  39.024 4.1449 41
  41.041 1.2043 12
  41.994 2.5112 25
  43.001 15.2539 152
  44.003 1.4703 15
  48.194 0.5531 6
  50.017 7.8954 79
  51.024 6.6911 67
  52.985 9.2326 92
  53.989 1.2743 13
  55.001 1.3023 13
  58.025 10.0845 101
  59.033 3.9115 39
  60.025 0.6255 6
  62.946 45.7804 457
  63.023 4.3829 44
  63.947 2.4295 24
  64.944 16.0544 160
  65.04 5.4285 54
  65.943 1.44 14
  65.992 2.0118 20
  66.96 1.1412 11
  67 2.1145 21
  70.078 0.5251 5
  70.642 0.6861 7
  73.013 0.7538 8
  74.016 3.7668 38
  75.024 5.1531 51
  76.033 4.537 45
  76.985 4.4249 44
  77.04 4.5743 46
  77.31 0.5741 6
  77.975 2.2428 22
  78.05 0.7865 8
  78.978 6.6397 66
  79.971 1.2323 12
  80.975 2.1378 21
  84.513 0.9335 9
  85.517 0.5391 5
  88.962 1.1903 12
  89.04 3.02 30
  89.995 0.6838 7
  90.046 0.9195 9
  91 0.9312 9
  91.056 45.7828 457
  91.129 0.8822 9
  92.059 3.1903 32
  92.993 16.2738 163
  93.993 1.0456 10
  94.99 5.5242 55
  100.985 1.0666 11
  102.978 2.4319 24
  104.007 0.8355 8
  104.069 0.8985 9
  105.017 5.6245 56
  105.069 0.8799 9
  107.032 0.7422 7
  111.004 1.1856 12
  112.01 1.5263 15
  117.015 1.7224 17
  119.033 7.0715 71
  120.033 1.5823 16
  126.978 1.8251 18
  128.985 1.1739 12
  131.034 1.1926 12
  133.049 2.6582 27
  135.064 1.5707 16
  138.976 1.1622 12
  139.986 0.9149 9
  140.994 3.7435 37
  141.993 1.0829 11
  142.989 1.7154 17
  152.995 2.0118 20
  153.995 1.1179 11
  155.009 100 999
  155.246 0.7142 7
  156.011 12.6004 126
  157.006 35.9713 359
  157.174 0.5391 5
  158.008 4.4226 44
  159.001 1.1973 12
  169.024 4.3153 43
  170.032 8.2198 82
  171.027 2.2918 23
  172.029 2.7376 27
  173.042 0.5835 6
//