MassBank Record: MSBNK-MSSJ-MSJ04010
ACCESSION: MSBNK-MSSJ-MSJ04010
RECORD_TITLE: 2-(Dimethylsilyl)-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-1029_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 189.0974.
CH$NAME: 2-(Dimethylsilyl)-1-methyl-1H-indole
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C11H15NSi
CH$EXACT_MASS: 189.097372
CH$SMILES: C[SiH](C)c1cc2ccccc2n1C
CH$IUPAC: InChI=1S/C11H15NSi/c1-12-10-7-5-4-6-9(10)8-11(12)13(2)3/h4-8,13H,1-3H3
CH$LINK: INCHIKEY
CPAANNNWJHTNNJ-UHFFFAOYSA-N
AC$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$CHROMATOGRAPHY: RETENTION_TIME 8.72 min
PK$SPLASH: splash10-00dr-3900000000-13efc74b0e802f5b13e8
PK$NUM_PEAK: 108
PK$PEAK: m/z int. rel.int.
27.024 1.5037 15
27.978 2.5402 25
28.006 2.0578 21
28.986 3.1247 31
29.669 0.7692 8
31.001 2.1404 21
31.989 1.4407 14
39.024 2.7684 28
39.343 0.8801 9
41.994 1.5037 15
43.001 22.1317 221
44.009 3.4681 35
45.017 4.2547 43
50.017 1.5884 16
51.024 2.5445 25
52.035 0.6323 6
52.985 5.2847 53
53.038 0.7279 7
53.98 1.2473 12
54.981 0.8388 8
55.001 1.5298 15
55.997 1.1321 11
57.017 0.9431 9
58.027 6.3364 63
59.032 7.4924 75
60.031 0.8779 9
62.016 1.3168 13
63.024 3.9179 39
64.025 1.1321 11
65.993 1.1582 12
67 1.4993 15
69.017 1.1495 11
70.02 0.7388 7
74.023 1.1039 11
75.022 1.9948 20
76.031 1.5341 15
76.984 1.2799 13
77.04 4.7892 48
78.042 1.1951 12
79.001 0.8887 9
83.032 0.7671 8
84.029 1.2299 12
87.037 1.6906 17
88.028 0.93 9
89.04 5.2477 52
90.046 1.5102 15
90.994 0.8822 9
91.055 2.1904 22
93.02 1.2668 13
94.045 1.3299 13
94.549 2.3598 24
95.047 0.9279 9
101.042 1.4646 15
102.048 2.9748 30
103.002 1.2017 12
103.055 4.0026 40
104.052 0.8388 8
105.017 3.9635 40
106.018 1.0756 11
115.056 4.1808 42
116.054 1.8144 18
117.015 3.3507 33
117.06 1.106 11
118.018 1.4733 15
119.032 2.4098 24
120.029 0.9691 10
121.044 0.8214 8
128.05 2.5989 26
129.016 1.4081 14
129.059 1.4211 14
130.017 1.7688 18
130.067 19.535 195
131.074 18.518 185
132.031 2.9639 30
132.078 2.8292 28
133.042 1.8166 18
134.043 2.4772 25
142.009 0.7258 7
143.02 2.5945 26
143.077 1.395 14
144.026 2.8553 29
144.081 6.671 67
144.181 0.6758 7
145.047 4.5915 46
146.044 5.0282 50
147.06 1.5797 16
148.058 3.5963 36
156.027 3.8853 39
157.028 0.9605 10
158.044 3.166 32
159.049 1.4863 15
160.057 1.0756 11
162.074 0.867 9
170.043 1.5537 16
172.058 2.1599 22
173.068 1.8861 19
174.074 100 999
175.077 15.4976 155
175.179 0.8192 8
176.074 4.2373 42
176.18 0.804 8
180.222 0.6693 7
186.07 0.7931 8
188.089 8.6658 87
189.097 59.0613 590
189.302 0.6432 6
190.1 9.598 96
191.096 2.8596 29
//
system version 2.2.8-SNAPSHOT