MassBank Record: MSBNK-MSSJ-MSJ04011
ACCESSION: MSBNK-MSSJ-MSJ04011
RECORD_TITLE: 2-(Dimethyl(phenyl)silyl)-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, 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-1037_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 265.1287.
CH$NAME: 2-(Dimethyl(phenyl)silyl)-1-methyl-1H-indole
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C17H19NSi
CH$EXACT_MASS: 265.128672
CH$SMILES: CN1C2=CC=CC=C2C=C1[Si](C)(C)C3=CC=CC=C3
CH$IUPAC: InChI=1S/C17H19NSi/c1-18-16-12-8-7-9-14(16)13-17(18)19(2,3)15-10-5-4-6-11-15/h4-13H,1-3H3
CH$LINK: INCHIKEY
RMAKJHNNKMBJEA-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:167452802
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 10.91 min
PK$SPLASH: splash10-0gb9-3590000000-487f7cb00ad0107511a8
PK$NUM_PEAK: 160
PK$PEAK: m/z int. rel.int.
27.023 1.3414 13
27.978 0.9172 9
28.007 1.9766 20
28.986 2.4896 25
31.003 0.7173 7
31.179 0.6174 6
31.99 1.4724 15
39.024 3.3358 33
42.034 0.9061 9
43.001 17.7471 177
44.006 1.3925 14
45.017 1.6013 16
50.016 2.3208 23
51.025 6.1963 62
52.03 1.2548 13
52.985 5.2568 53
53.984 1.2415 12
55 1.0682 11
57.017 0.7351 7
58.026 7.2556 72
59.032 4.9282 49
60.032 0.8017 8
63.025 2.956 30
65.041 2.5185 25
65.991 1.1215 11
66.041 0.6685 7
67.003 1.5391 15
69.017 1.3592 14
74.018 0.6507 7
75.023 1.5435 15
76.032 1.8234 18
76.984 1.488 15
77.04 6.8315 68
78.002 0.6485 6
78.049 5.208 52
79.001 2.3164 23
81.017 1.1193 11
83.032 1.2992 13
89.041 5.2902 53
90.044 1.2881 13
90.997 0.8439 8
91.056 11.2133 112
92.061 1.1504 11
93.016 3.5934 36
94.019 0.7795 8
95.035 1.0816 11
101.038 1.3014 13
102.048 2.634 26
103 2.1187 21
103.055 2.6273 26
104.011 0.7995 8
104.06 0.8373 8
105.018 13.7162 137
106.018 2.0565 21
107.032 2.8139 28
110.029 1.5235 15
110.535 1.0682 11
114.039 0.6752 7
115.055 4.1664 42
116.058 1.5235 15
116.533 1.4902 15
117.036 6.5161 65
117.54 2.9938 30
118.034 1.166 12
118.542 0.5663 6
119.032 6.2962 63
120.035 1.7523 18
121.048 8.1151 81
122.051 1.0261 10
123.541 1.6346 16
124.045 6.7226 67
124.179 0.5819 6
124.549 4.7505 47
125.052 5.5633 56
125.556 1.4613 15
128.054 2.252 22
129.017 1.8789 19
129.063 1.488 15
130.019 1.9522 20
130.067 6.3517 63
131.032 2.7717 28
131.073 3.0493 30
132.03 2.4452 24
132.565 2.1831 22
133.047 2.9271 29
134.048 2.6251 26
135.065 4.2952 43
143.027 2.6206 26
143.07 1.8811 19
144.029 2.0388 20
144.082 6.1741 62
145.048 2.845 28
146.045 2.745 27
147.051 1.1038 11
148.059 0.6041 6
156.029 3.6556 37
157.041 0.7795 8
158.042 2.2498 22
159.056 1.1282 11
160.056 0.8684 9
161.085 0.5863 6
165.072 3.8244 38
166.074 1.0549 11
167.025 0.9683 10
169.042 0.7085 7
170.044 2.9627 30
171.034 0.7706 8
172.06 3.1181 31
173.065 1.4058 14
174.071 0.9483 9
177.06 0.6863 7
178.079 2.765 28
178.301 0.7995 8
179.096 1.2548 13
181.05 1.0016 10
186.069 1.4502 14
187.08 1.6124 16
188.09 4.9903 50
189.088 0.9772 10
190.074 0.9727 10
191.035 1.0061 10
191.079 1.1526 12
192.08 1.1415 11
193.05 1.4502 14
194.045 0.9417 9
195.062 1.1238 11
203.082 0.8639 9
204.081 4.3796 44
205.083 1.1726 12
206.096 4.1309 41
207.104 6.5139 65
208.105 1.5391 15
208.174 0.5797 6
209.086 0.6974 7
218.108 0.7884 8
219.053 3.6978 37
220.059 3.6245 36
221.072 1.3303 13
222.079 0.9528 10
230.034 0.5108 5
232.06 3.0226 30
233.067 3.0115 30
234.074 6.6316 66
235.078 2.4763 25
246.07 0.9683 10
247.085 1.126 11
248.09 45.4749 454
248.365 2.3119 23
249.094 12.7235 127
249.385 0.6218 6
250.105 71.3305 713
251.108 15.7283 157
252.106 3.7355 37
253.11 0.6285 6
264.122 5.9342 59
265.129 100 999
266.132 22.4576 224
266.256 0.7862 8
267.13 6.2052 62
268.131 1.0949 11
//