ACCESSION: MSBNK-MSSJ-MSJ04008
RECORD_TITLE: (3,5-Dimethylphenyl)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-776_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 164.1021.

CH$NAME: (3,5-Dimethylphenyl)dimethylsilane
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C₁₀H₁₆Si
CH$EXACT_MASS: 164.102127
CH$SMILES: CC1=CC(=CC(=C1)[SiH](C)C)C
CH$IUPAC: InChI=1S/C10H16Si/c1-8-5-9(2)7-10(6-8)11(3)4/h5-7,11H,1-4H3
CH$LINK: CHEMSPIDER 110798934
CH$LINK: INCHIKEY PHKJAFSQKHFJQH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:125121139

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 7.32 min

PK$SPLASH: splash10-01ot-6900000000-a689dd93c95909a86cfe
PK$NUM_PEAK: 120
PK$PEAK: m/z int. rel.int.
  26.752 0.5674 6
  27.024 3.0037 30
  27.977 1.3401 13
  28.006 2.6086 26
  28.985 2.9146 29
  29.889 0.5074 5
  31.001 2.3026 23
  31.989 1.2142 12
  34.526 0.5384 5
  38.014 0.6275 6
  39.024 5.0042 50
  39.206 0.7127 7
  40.03 0.856 9
  41.039 1.4583 15
  41.993 1.3963 14
  43.001 24.6258 246
  44.009 2.7538 28
  44.052 0.4319 4
  45.017 3.0618 31
  47.748 0.5113 5
  48.68 0.4745 5
  50.017 1.3517 14
  51.024 3.2128 32
  52.032 1.2685 13
  52.985 6.2978 63
  53.04 1.7952 18
  53.992 1.0167 10
  55.001 2.8584 29
  57.017 1.2491 12
  58.024 22.449 224
  58.091 0.7766 8
  59.032 25.4682 254
  60.03 1.9715 20
  61.031 0.9296 9
  62.014 0.7359 7
  63.025 2.6628 27
  65.039 2.1767 22
  65.994 1.7972 18
  67 5.4786 55
  67.059 0.4841 5
  68.002 0.9392 9
  69.016 2.7655 28
  72.04 5.6491 56
  73.026 0.6759 7
  73.047 1.4157 14
  74.035 1.2627 13
  74.539 0.6662 7
  75.025 0.6042 6
  76.036 0.7417 7
  76.983 1.2297 12
  77.04 6.8536 68
  78.047 2.8236 28
  79 2.0257 20
  79.055 3.8635 39
  81.016 1.7623 18
  81.549 0.734 7
  83.032 2.1748 22
  84.026 0.641 6
  89.041 1.1155 11
  89.542 0.5229 5
  89.624 0.5016 5
  91.001 0.5849 6
  91.055 6.7548 67
  92.01 0.5597 6
  92.055 1.0109 10
  93.017 3.0889 31
  94.024 0.519 5
  94.249 0.5229 5
  95.032 2.0838 21
  97.046 0.7979 8
  102.048 1.0051 10
  103.056 4.3573 44
  104.063 1.7855 18
  105.016 5.7052 57
  105.071 7.4869 75
  106.02 1.162 12
  106.077 2.3607 24
  107.032 4.2276 42
  109.047 1.6442 16
  115.056 1.1716 12
  116.965 0.5403 5
  117.017 1.0496 10
  117.069 0.8676 9
  118.028 0.5306 5
  119.032 4.8609 49
  119.087 1.8824 19
  120.033 0.7766 8
  121.048 7.1441 71
  122.049 0.7727 8
  123.061 0.794 8
  127.101 0.5016 5
  131.031 5.0855 51
  132.035 1.0458 10
  133.048 7.3087 73
  134.051 1.1833 12
  135.062 3.8616 39
  136.065 0.8792 9
  141.073 0.5248 5
  145.048 7.7638 78
  146.051 1.4311 14
  147.062 7.9613 80
  147.336 0.579 6
  148.068 2.8642 29
  149.079 100 999
  149.511 0.5616 6
  150.081 14.5477 145
  151.077 3.4646 35
  159.063 1.2801 13
  161.083 0.5481 5
  163.094 14.9641 149
  164.102 39.8784 398
  165.104 6.1042 61
  166.1 1.9734 20
  167.54 0.6972 7
  220.384 0.4241 4
  227.76 0.4996 5
  262.576 0.5539 6
  284.212 0.5829 6
  284.427 0.4241 4
  292.147 0.5829 6
//