MassBank Record: MSBNK-MSSJ-MSJ04008
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
//
system version 2.2.8-SNAPSHOT