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
//