MassBank Record: MSBNK-MSSJ-MSJ04013
ACCESSION: MSBNK-MSSJ-MSJ04013
RECORD_TITLE: 3-(Furan-2-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-830_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 245.1236.
CH$NAME: 3-(Furan-2-yldimethylsilyl)-N,N-dimethylaniline
CH$COMPOUND_CLASS: Non-natural compound
CH$FORMULA: C14H19NOSi
CH$EXACT_MASS: 245.123587
CH$SMILES: C[Si](C)(c1ccco1)c1cccc(c1)N(C)C
CH$IUPAC: InChI=1S/C14H19NOSi/c1-15(2)12-7-5-8-13(11-12)17(3,4)14-9-6-10-16-14/h5-11H,1-4H3
CH$LINK: INCHIKEY
NFHVTUCJKSCULK-UHFFFAOYSA-N
AC$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$CHROMATOGRAPHY: RETENTION_TIME 9.48 min
PK$SPLASH: splash10-0002-4690000000-fa0d21eceb1181e4641d
PK$NUM_PEAK: 247
PK$PEAK: m/z int. rel.int.
27.024 0.4858 5
28.006 1.0713 11
28.985 0.5039 5
29.003 0.541 5
31.99 0.6553 7
38.016 0.3224 3
39.024 2.4448 24
41.039 0.2958 3
42.035 3.3362 33
43.001 6.4821 65
43.041 0.2187 2
44.001 0.4464 4
44.05 1.2022 12
44.98 2.9561 30
45.016 1.0729 11
46.996 0.3352 3
50.016 0.4324 4
51.024 2.4573 25
52.031 0.5099 5
52.985 2.478 25
53.04 0.6622 7
53.986 0.3177 3
55.001 1.2578 13
55.055 0.4371 4
55.997 0.4326 4
57.017 0.319 3
58.024 0.4823 5
58.996 0.2377 2
59.032 3.9448 39
60.033 0.2768 3
61.011 0.9453 9
63.024 1.0505 10
64.029 0.2966 3
65.04 2.0848 21
65.993 0.6095 6
66.039 0.3471 3
67.001 1.5614 16
67.048 0.1277 1
68.005 0.2793 3
68.051 0.2719 3
69.017 3.003 30
70.016 0.4442 4
71.032 0.8555 9
72.028 0.5086 5
73.526 0.9587 10
74.024 0.2226 2
74.534 0.9531 10
75.027 1.5833 16
76.032 0.7488 7
76.986 0.4147 4
77.04 3.2301 32
77.993 0.2165 2
78.047 1.3749 14
79.001 0.872 9
79.053 0.743 7
80.005 0.1615 2
80.534 0.5589 6
81.017 0.7536 8
81.541 0.7727 8
82.02 0.2346 2
83.033 1.655 17
84.03 0.3649 4
85.012 1.8948 19
85.526 0.3231 3
86.012 0.239 2
86.534 2.9768 30
87.034 0.7489 7
87.54 0.4886 5
88.036 0.1405 1
88.55 1.5975 16
89.042 0.9047 9
89.539 1.4086 14
90.043 0.7385 7
91.001 0.3407 3
91.056 3.7543 38
92.008 0.3142 3
92.059 0.533 5
93.017 1.6321 16
93.063 0.2108 2
93.542 1.4016 14
94.017 0.3231 3
94.539 0.2467 2
94.996 1.2481 12
95.032 1.8109 18
96.036 0.3446 3
97.012 0.4953 5
97.048 0.6304 6
98.019 0.5326 5
99.027 14.3248 143
99.109 0.1601 2
99.542 0.2416 2
100.029 1.3538 14
100.549 1.2174 12
101.036 0.6488 6
101.539 1.8288 18
102.043 1.4705 15
102.542 0.2363 2
103.001 2.2883 23
103.054 0.6978 7
104.006 0.5929 6
104.052 1.7757 18
105.017 2.4269 24
105.06 1.1669 12
106.02 0.5355 5
106.066 0.2618 3
106.532 0.3073 3
107.033 1.0278 10
107.539 0.4094 4
108.038 0.3291 3
108.547 1.1579 12
109.012 6.3453 63
110.014 0.7428 7
111.027 0.9199 9
113.041 0.2948 3
114.047 0.3378 3
114.547 6.7219 67
114.615 0.1447 1
115.052 6.673 67
115.55 0.8543 9
116.057 0.6904 7
117.017 1.0531 11
117.062 0.7748 8
118.018 0.3842 4
118.067 2.6669 27
119.032 2.8892 29
119.074 1.0372 10
120.031 0.8804 9
120.082 6.0284 60
121.047 0.6565 7
121.088 1.3508 13
121.555 0.3492 3
122.054 0.3297 3
122.563 1.2537 13
123.027 0.2131 2
123.062 0.2539 3
125.043 5.1034 51
126.046 0.9023 9
127.055 1.2224 12
128.063 1.9016 19
129.018 0.4836 5
129.069 0.8441 8
130.022 0.4585 5
130.068 0.7345 7
131.032 1.7484 17
131.075 0.5031 5
132.03 1.6545 17
132.082 0.4229 4
133.046 2.1406 21
133.09 0.7607 8
134.046 1.1002 11
134.098 2.9069 29
135.03 0.6365 6
135.104 0.9306 9
136.045 0.1582 2
139.056 0.3161 3
140.055 0.2647 3
141.018 0.2068 2
141.071 0.9602 10
142.024 0.383 4
142.07 0.6679 7
143.033 1.8726 19
143.075 0.6082 6
144.033 0.6117 6
144.083 1.9558 20
145.048 1.2603 13
145.089 0.7355 7
146.044 1.1518 12
146.098 0.4641 5
147.049 0.4899 5
148.059 2.7158 27
149.064 0.704 7
150.053 0.1932 2
154.067 0.9921 10
155.033 0.3719 4
155.075 0.8012 8
156.03 0.5695 6
156.082 0.7315 7
157.045 0.4734 5
157.089 0.5234 5
158.053 1.0289 10
158.098 3.3054 33
159.062 1.0628 11
160.059 0.937 9
161.044 0.9331 9
162.075 4.0237 40
163.081 1.6419 16
164.065 0.563 6
165.069 0.1386 1
167.032 0.2133 2
167.076 0.2248 2
168.082 1.0202 10
169.046 0.7226 7
170.045 0.863 9
170.098 2.9471 29
171.029 1.0272 10
171.105 3.1206 31
172.059 1.0453 10
172.111 0.6454 6
173.063 0.4071 4
174.074 1.702 17
175.077 0.4035 4
176.09 0.6004 6
177.097 0.6216 6
178.106 2.0438 20
179.108 0.338 3
182.046 0.2266 2
183.057 0.195 2
184.059 1.0696 11
184.113 0.5513 6
185.042 1.4322 14
185.119 0.1689 2
186.077 2.0159 20
187.078 1.9694 20
188.056 1.5134 15
189.061 0.857 9
190.068 0.3311 3
197.066 0.2504 3
198.074 0.5148 5
199.058 0.344 3
200.054 2.8433 28
201.094 0.8604 9
202.105 4.7217 47
203.108 0.9359 9
204.085 17.299 173
205.087 2.8805 29
206.084 0.7633 8
212.089 0.5384 5
213.074 0.1555 2
214.07 5.3624 54
214.203 0.2302 2
215.077 8.9136 89
216.079 1.7847 18
217.077 0.4047 4
228.085 0.9091 9
229.091 0.6671 7
230.1 24.4324 244
231.102 4.5462 45
232.1 1.1441 11
232.307 0.194 2
242.1 0.2092 2
244.116 15.9713 160
245.124 100 999
245.9 0.2724 3
246.126 19.785 198
246.974 0.1408 1
247.124 4.7608 48
248.126 0.6454 6
//
system version 2.2.8-SNAPSHOT