MassBank Record: MSBNK-MSSJ-MSJ04014
ACCESSION: MSBNK-MSSJ-MSJ04014
RECORD_TITLE: 3-(Dibenzo[b,d]thiophen-4-yldimethylsilyl)-N,N-dimethylaniline; 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_161207_ma4MB/MYH-868_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 361.1320.
CH$NAME: 3-(Dibenzo[b,d]thiophen-4-yldimethylsilyl)-N,N-dimethylaniline
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C22H23NSSi
CH$EXACT_MASS: 361.132043
CH$SMILES: C[Si](C)(c1cccc2c1sc1ccccc12)c1cc(ccc1)N(C)C
CH$IUPAC: InChI=1S/C22H23NSSi/c1-23(2)16-9-7-10-17(15-16)25(3,4)21-14-8-12-19-18-11-5-6-13-20(18)24-22(19)21/h5-15H,1-4H3
CH$LINK: INCHIKEY
MPPLQUIRZJZDHR-UHFFFAOYSA-N
AC$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$CHROMATOGRAPHY: RETENTION_TIME 13.46 min
PK$SPLASH: splash10-03dj-0419000000-017d61cec62a904fa86b
PK$NUM_PEAK: 230
PK$PEAK: m/z int. rel.int.
28.006 1.0705 11
28.985 0.3534 4
31.99 0.6435 6
39.024 0.3851 4
42.035 1.7558 18
43.001 3.8419 38
44 0.286 3
44.05 0.7548 8
45.016 0.3701 4
51.024 0.3517 4
52.985 0.8219 8
55.001 0.2695 3
57.017 0.3002 3
58.025 3.5008 35
59.032 1.3736 14
60.026 0.1482 1
63.024 0.4153 4
65.04 0.5255 5
67.001 0.3307 3
69.017 0.3083 3
72.028 0.2515 3
73.048 0.4121 4
76.033 0.4233 4
77.04 1.8003 18
78.047 0.9684 10
79.002 0.2776 3
79.053 0.4178 4
83.032 0.5397 5
84.029 0.2258 2
89.04 0.3594 4
90.044 0.315 3
91.056 2.3431 23
92.059 0.3256 3
93.017 0.8793 9
93.064 0.1378 1
95.032 0.3042 3
103.002 1.3388 13
103.056 0.2909 3
104.006 0.298 3
104.053 1.1908 12
105.017 1.2226 12
105.061 0.7635 8
106.019 0.2963 3
107.032 0.5117 5
113.041 0.2923 3
115.055 0.4602 5
117.018 0.4477 4
117.064 0.3977 4
118.02 0.2206 2
118.067 1.9242 19
119.033 2.1411 21
119.074 1.0139 10
120.031 0.7536 8
120.082 3.7825 38
121.047 0.4654 5
121.089 0.6648 7
125.041 0.3876 4
131.033 0.2385 2
132.028 1.4353 14
133.045 1.0662 11
133.09 0.5595 6
134.045 0.9468 9
134.098 3.3583 34
135.063 0.5301 5
135.103 0.5742 6
138.049 0.248 2
139.057 1.7101 17
140.062 0.2689 3
143.015 0.3145 3
143.518 0.4764 5
144.024 0.3662 4
145.032 0.1594 2
146.044 1.2318 12
147.05 0.6406 6
148.059 2.2644 23
149.064 0.8202 8
149.558 0.2797 3
150.049 1.5458 15
150.526 0.8482 8
151.056 3.1137 31
151.532 0.4863 5
152.064 1.8449 18
153.071 0.6967 7
155.046 0.1373 1
155.557 0.2937 3
156.522 0.297 3
157.025 0.2979 3
157.528 0.3048 3
158.031 0.4124 4
158.539 0.2099 2
160.06 0.3563 4
161.066 0.1836 2
162.075 2.7335 27
163.078 1.1311 11
163.528 0.3298 3
164.065 0.7569 8
164.536 2.5851 26
165.072 3.664 37
165.541 0.92 9
166.076 0.7078 7
171.033 0.5993 6
171.544 2.3958 24
172.046 1.4832 15
172.551 8.3262 83
173.055 8.8305 88
173.555 2.7273 27
174.054 1.0648 11
174.555 0.2373 2
176.089 0.4193 4
177.095 0.2278 2
178.106 1.3042 13
179.098 0.2489 2
179.559 0.6228 6
180.06 0.5119 5
180.567 3.4926 35
181.067 1.1625 12
181.567 0.4343 4
182.023 0.2617 3
183.029 0.2746 3
184.038 1.5881 16
184.991 0.2959 3
185.041 0.2613 3
189.072 0.3552 4
191.02 0.1463 1
193.049 0.2002 2
195.064 0.6934 7
196.039 0.261 3
197.044 14.1739 142
198.047 2.1426 21
199.042 0.7442 7
200.061 0.2654 3
201.022 0.2307 2
201.07 0.2032 2
202.079 0.2539 3
207.034 1.0172 10
208.036 0.4611 5
209.035 0.2092 2
209.998 0.609 6
211.006 4.7253 47
212.008 0.9801 10
213.01 0.5725 6
213.072 0.3271 3
215.087 0.284 3
221.046 0.4048 4
223.006 1.5378 15
224.011 0.7654 8
225.02 3.0872 31
226.024 0.7816 8
226.08 1.4893 15
227.034 1.2174 12
228.039 0.3082 3
228.093 0.1841 2
229.042 0.2062 2
235.005 0.1827 2
237.02 0.2563 3
238.028 0.177 2
239.036 0.6028 6
239.087 1.0504 10
240.09 0.436 4
241.052 4.1437 41
242.055 0.9378 9
243.051 0.4574 5
245.045 0.3083 3
251.035 0.2775 3
253.039 0.2368 2
254.097 0.2955 3
255.064 0.529 5
256.064 0.1671 2
258.053 1.1011 11
259.058 0.5858 6
260.065 0.3996 4
261.02 0.2747 3
265.047 0.1974 2
267.063 0.3441 3
268.069 0.2653 3
269.076 0.4251 4
270.073 0.2226 2
271.06 1.8416 18
272.063 0.621 6
273.065 0.3035 3
274.028 0.2314 2
275.035 0.4748 5
281.054 0.446 4
282.067 0.2642 3
283.065 0.1269 1
284.016 0.1783 2
285.021 0.4175 4
286.029 1.1268 11
287.036 2.9309 29
288.038 0.8837 9
289.042 0.4153 4
296.091 0.1537 2
298.028 0.193 2
298.102 0.1588 2
299.034 0.6974 7
300.038 0.5764 6
301.049 2.3424 23
302.102 2.7012 27
302.235 0.1319 1
303.11 4.3839 44
304.112 0.9936 10
305.109 0.258 3
312.033 0.2109 2
313.042 0.1936 2
314.047 0.7895 8
315.053 0.3922 4
316.062 1.383 14
317.071 0.571 6
318.069 0.2056 2
328.063 0.6687 7
329.067 0.3306 3
330.078 6.5409 65
331.081 2.1896 22
332.078 0.8393 8
333.081 0.2093 2
344.093 0.9262 9
345.099 0.4702 5
346.109 54.1828 541
347.111 15.7895 158
348.108 6.1178 61
349.11 1.2872 13
350.108 0.2035 2
360.125 9.2173 92
361.132 100 999
361.812 0.171 2
362.135 29.5616 295
362.733 0.1785 2
363.132 11.1078 111
364.133 2.3322 23
365.131 0.3943 4
//
