MassBank Record: MSBNK-MSSJ-MSJ04007
ACCESSION: MSBNK-MSSJ-MSJ04007
RECORD_TITLE: 5-(Diphenylsilyl)-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, Baoli Wang, Liang Zhang, and Zhaomin Hou; J. Am. Chem. Soc. 2016, 138, 3663−3666. DOI: 10.1021/jacs.6b01349
COMMENT: Original ID of the mass spectral data is A-151216_ma4MB/MYH-686_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 200 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 313.1287.
CH$NAME: 5-(Diphenylsilyl)-1-methyl-1H-indole
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C21H19NSi
CH$EXACT_MASS: 313.128672
CH$SMILES: Cn1ccc2cc(ccc12)[SiH](c1ccccc1)c1ccccc1
CH$IUPAC: InChI=1S/C21H19NSi/c1-22-15-14-17-16-20(12-13-21(17)22)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,23H,1H3
CH$LINK: INCHIKEY
UJCZHORZACISIH-UHFFFAOYSA-N
AC$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 ZB1-MS 7HM-G011-11 sn:313446 (Agilent, Wilmington, USA) with the length 30.0 m, I.D. 0.32 mm, and thickness 0.25 micrometer.
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE Initial oven temperature at 70 C for 4 min and ramped at the rate of 30 C/min to 325 C and held at the final temperature for 1.5 min.
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 250 C
AC$CHROMATOGRAPHY: RETENTION_TIME 12.36 min
PK$SPLASH: splash10-03ei-2975000000-2e709209a3e6869ce0a5
PK$NUM_PEAK: 216
PK$PEAK: m/z int. rel.int.
27.024 0.446 4
27.978 0.4159 4
28.007 1.1259 11
28.986 0.5905 6
31.99 0.6076 6
39.025 1.0837 11
42.035 0.9486 9
43.001 0.2851 3
43.993 0.3208 3
50.017 1.0048 10
51.025 4.0308 40
52.032 1.3188 13
52.986 6.2424 62
53.04 0.3323 3
53.985 0.6442 6
55.001 0.553 6
55.055 0.25 2
62.017 0.3133 3
63.025 1.2757 13
65.04 0.4691 5
65.994 0.5693 6
67.001 0.6377 6
74.018 0.2529 3
75.025 0.5221 5
76.033 1.0019 10
76.986 1.1252 11
77.041 7.7081 77
77.993 0.4253 4
78.049 11.2666 113
78.113 0.1655 2
78.519 0.3297 3
79.002 5.0965 51
79.053 0.9715 10
80.004 0.6274 6
80.055 0.1238 1
81.016 0.3466 3
87.026 0.2969 3
88.032 0.4265 4
89.041 2.2662 23
89.993 0.2982 3
90.047 0.9669 10
91.001 0.5908 6
91.056 3.0041 30
92.007 0.3119 3
93.017 0.3124 3
101.041 0.5756 6
102.049 2.3724 24
103.002 4.3961 44
103.056 3.6977 37
103.527 0.3355 3
104.007 1.1753 12
104.054 0.4901 5
104.535 0.2237 2
105.017 44.1332 441
106.019 5.4377 54
107.016 1.6923 17
108.027 0.3003 3
109.526 0.3646 4
110.03 2.4726 25
110.531 0.4949 5
114.04 0.3678 4
115.055 2.4741 25
116.01 0.6604 7
116.054 0.9751 10
116.534 1.7663 18
117.02 1.7612 18
117.542 11.6575 116
117.625 0.1707 2
118.043 2.757 28
118.541 0.6828 7
119.029 0.4732 5
126.048 0.3198 3
127.056 0.4713 5
128.054 1.9351 19
129.017 3.1756 32
129.061 1.3412 13
130.017 2.2306 22
130.067 12.0883 121
131.032 2.444 24
131.075 10.2 102
132.03 2.1709 22
132.079 1.1883 12
133.032 0.5228 5
134.042 0.4679 5
135.047 0.2902 3
139.057 0.9286 9
140.056 0.3362 3
141.018 0.4174 4
141.07 0.2319 2
142.018 0.7158 7
143.023 1.104 11
144.028 0.9176 9
145.03 0.1826 2
148.046 0.3694 4
150.047 0.2257 2
151.056 0.6112 6
152.064 1.8515 18
153.018 0.8003 8
153.071 0.9332 9
153.541 0.2574 3
154.024 0.5939 6
154.076 0.8867 9
154.549 0.7639 8
155.033 4.0508 40
155.557 0.7584 8
156.029 15.8041 158
156.294 0.1491 1
156.565 2.2152 22
157.032 2.9256 29
158.043 6.2448 62
159.046 1.0621 11
160.046 0.2745 3
163.056 0.6563 7
164.063 0.611 6
165.019 0.2037 2
165.072 4.065 41
166.025 0.4357 4
166.074 0.9036 9
167.032 1.3239 13
167.084 0.9265 9
168.035 0.4482 4
168.086 0.2767 3
169.04 0.348 3
170.045 0.1898 2
176.064 0.4862 5
177.016 0.1635 2
177.069 0.4622 5
178.024 0.2305 2
178.079 1.3487 13
179.034 1.932 19
179.084 0.5746 6
180.041 8.223 82
180.167 0.1838 2
181.048 30.4775 304
182.053 8.8106 88
182.239 0.1262 1
183.061 4.2049 42
183.159 0.1628 2
184.062 0.774 8
185.062 0.2037 2
189.071 0.4901 5
190.068 0.9077 9
191.032 1.8864 19
191.076 1.0883 11
192.038 1.3992 14
193.046 2.5812 26
194.048 0.9371 9
195.055 0.4925 5
196.059 0.2435 2
203.033 0.2372 2
203.075 0.2122 2
204.083 4.0079 40
205.048 1.6271 16
206.046 2.0427 20
206.099 2.8657 29
206.235 0.1344 1
207.062 4.7266 47
207.106 4.1334 41
208.067 2.7009 27
209.073 1.2441 12
210.075 1.1449 11
211.079 0.2548 3
216.034 0.1989 2
217.041 0.618 6
218.044 1.4941 15
219.051 4.6825 47
220.058 4.156 42
221.062 1.1119 11
222.071 0.6038 6
230.045 0.9544 10
231.051 0.3798 4
232.059 4.6187 46
233.067 10.5549 105
233.197 0.1787 2
233.333 0.1876 2
234.075 38.2916 383
234.206 1.0529 11
235.082 47.6034 476
236.089 52.4971 524
236.793 0.1353 1
236.853 0.1481 1
237.091 11.0316 110
237.216 0.1676 2
237.309 0.1481 1
238.089 2.3597 24
239.089 0.8196 8
240.09 0.2182 2
241.049 0.2755 3
243.055 0.1895 2
257.074 0.1462 1
265.047 0.3013 3
266.052 0.2004 2
267.061 0.4024 4
268.066 0.2753 3
269.076 0.2442 2
270.076 0.2131 2
281.056 0.3923 4
282.06 0.1599 2
283.088 0.1476 1
293.066 0.3454 3
294.073 0.6433 6
295.079 0.5002 5
296.091 0.8877 9
297.096 0.5342 5
298.106 0.9968 10
299.106 0.2481 2
308.09 0.3174 3
310.106 1.4806 15
311.11 0.5517 6
312.122 18.4723 185
312.372 0.1532 2
313.129 100 999
313.762 0.1789 2
314.131 26.8884 269
315.13 6.4642 65
316.131 0.9985 10
//
system version 2.2.8-SNAPSHOT