ACCESSION: MSBNK-GL_Sciences_Inc-GLS00100
RECORD_TITLE: Tyramine; EI-B; MS; n TMS; RT: 788.72 s
DATE: 2016.01.19 (Created 2012.08.03, modified 2013.07.31)
AUTHORS: Miyagawa H, Akimoto S, Yamasaki K, GL Sciences Inc.
LICENSE: CC BY-SA
COPYRIGHT: GL Sciences Inc.
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide(MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.
CH$NAME: Tyramine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C8H11NO
CH$EXACT_MASS: 137.08406
CH$SMILES: NCCc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
CH$LINK: CAS
51-67-2
CH$LINK: CHEBI
15760
CH$LINK: KEGG
C00483
CH$LINK: PUBCHEM 3766
CH$LINK: INCHIKEY
DZGWFCGJZKJUFP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2043874
AC$INSTRUMENT: GCMS-2010 Plus, Shimadzu
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: GAS_PRESSURE 75 kPa
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME InertCap 5MS/NP 0.25 mmI.D. x 30 m, df=0.25 um
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C(2 min)-15 C/min - 330C
AC$CHROMATOGRAPHY: RETENTION_INDEX 1934
AC$CHROMATOGRAPHY: RETENTION_TIME 788.72
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$FOCUSED_ION: DERIVATIVE_TYPE n TMS
MS$DATA_PROCESSING: WHOLE GCMSsolution
PK$SPLASH: splash10-00di-1900000000-9b1000a8978b57919c35
PK$NUM_PEAK: 367
PK$PEAK: m/z int. rel.int.
86.050000 458964.000000 185
87.050000 42854.000000 17
88.050000 16672.000000 7
89.050000 5319.000000 2
90.050000 4682.000000 2
91.050000 13518.000000 5
92.000000 1178.000000 1
93.000000 943.000000 1
94.000000 302.000000 1
95.050000 1544.000000 1
96.100000 478.000000 1
97.100000 838.000000 1
98.100000 601.000000 1
99.150000 3948.000000 2
100.050000 230487.000000 93
101.050000 27292.000000 11
102.050000 25516.000000 10
103.050000 8083.000000 3
104.100000 3497.000000 1
105.050000 6669.000000 3
106.100000 985.000000 1
107.100000 1990.000000 1
108.100000 436.000000 1
109.000000 1287.000000 1
110.000000 311.000000 1
111.000000 606.000000 1
112.000000 364.000000 1
113.050000 3374.000000 1
114.100000 3263.000000 1
115.050000 6577.000000 3
116.050000 13296.000000 5
117.100000 31802.000000 13
118.050000 5495.000000 2
119.100000 6774.000000 3
120.000000 922.000000 1
121.050000 4525.000000 2
122.000000 639.000000 1
123.000000 746.000000 1
123.600000 295.000000 1
124.600000 18945.000000 8
125.550000 3160.000000 1
126.600000 210.000000 1
127.600000 342.000000 1
129.150000 2821.000000 1
130.050000 42527.000000 17
131.050000 36023.000000 15
132.100000 9718.000000 4
133.050000 14113.000000 6
134.100000 2940.000000 1
135.050000 9722.000000 4
136.100000 1167.000000 1
137.100000 1095.000000 1
138.100000 222.000000 1
139.100000 230.000000 1
140.100000 97.000000 1
141.100000 407.000000 1
142.100000 551.000000 1
143.050000 1157.000000 1
144.100000 13095.000000 5
145.100000 7308.000000 3
146.100000 7519.000000 3
147.100000 10894.000000 4
148.100000 4038.000000 2
149.100000 17254.000000 7
150.100000 3226.000000 1
151.100000 5202.000000 2
152.100000 598.000000 1
152.700000 362.000000 1
153.650000 2919.000000 1
154.700000 631.000000 1
155.700000 300.000000 1
157.150000 985.000000 1
158.100000 19932.000000 8
159.150000 6008.000000 2
160.550000 3286.000000 1
161.650000 42831.000000 17
162.550000 11691.000000 5
162.950000 11901.000000 5
164.100000 7529.000000 3
165.100000 9198.000000 4
166.150000 1842.000000 1
167.100000 572.000000 1
168.100000 172.000000 1
169.150000 4984.000000 2
170.050000 1385.000000 1
171.100000 586.000000 1
172.100000 21025.000000 8
173.150000 18419.000000 7
174.150000 2472274.000000 999
175.150000 438804.000000 177
176.100000 198521.000000 80
177.100000 32956.000000 13
178.150000 6508.000000 3
179.100000 50761.000000 21
180.100000 8487.000000 3
181.050000 3352.000000 1
182.000000 407.000000 1
183.000000 178.000000 1
184.000000 156.000000 1
185.000000 103.000000 1
186.000000 135.000000 1
187.000000 252.000000 1
188.000000 711.000000 1
189.100000 961.000000 1
190.050000 9367.000000 4
191.050000 3571.000000 1
192.050000 4643.000000 2
193.050000 11692.000000 5
194.050000 2413.000000 1
195.050000 2586.000000 1
196.100000 452.000000 1
197.100000 380.000000 1
198.100000 27.000000 1
199.100000 151.000000 1
200.100000 158.000000 1
201.100000 180.000000 1
202.100000 428.000000 1
203.100000 170.000000 1
204.100000 975.000000 1
205.100000 954.000000 1
206.050000 906.000000 1
207.000000 10004.000000 4
208.000000 2394.000000 1
209.050000 2951.000000 1
210.000000 569.000000 1
211.000000 370.000000 1
212.000000 49.000000 1
213.000000 22.000000 1
214.000000 70.000000 1
215.000000 76.000000 1
216.000000 103.000000 1
217.000000 492.000000 1
218.050000 1081.000000 1
219.050000 1757.000000 1
220.150000 1114.000000 1
221.100000 3873.000000 2
222.050000 1276.000000 1
223.100000 8498.000000 3
224.050000 1788.000000 1
225.000000 542.000000 1
226.000000 57.000000 1
227.000000 33.000000 1
229.000000 42.000000 1
230.000000 62.000000 1
231.000000 468.000000 1
232.050000 1506.000000 1
233.100000 1945.000000 1
234.100000 2655.000000 1
235.050000 1675.000000 1
236.150000 1697.000000 1
237.100000 6113.000000 2
238.150000 2009.000000 1
239.100000 657.000000 1
240.100000 150.000000 1
241.100000 66.000000 1
242.100000 44.000000 1
243.100000 30.000000 1
244.100000 34.000000 1
245.100000 60.000000 1
246.100000 532.000000 1
247.150000 1090.000000 1
248.100000 11626.000000 5
249.150000 6924.000000 3
250.100000 51943.000000 21
251.150000 12342.000000 5
252.100000 5217.000000 2
253.100000 1063.000000 1
254.100000 129.000000 1
255.100000 100.000000 1
256.100000 73.000000 1
259.100000 36.000000 1
260.100000 95.000000 1
261.100000 207.000000 1
262.100000 1244.000000 1
263.150000 1280.000000 1
264.150000 50620.000000 20
265.150000 14169.000000 6
266.100000 6430.000000 3
267.150000 1474.000000 1
268.200000 318.000000 1
269.200000 47.000000 1
270.200000 73.000000 1
271.200000 42.000000 1
273.200000 58.000000 1
274.200000 116.000000 1
275.200000 39.000000 1
276.200000 289.000000 1
277.100000 255.000000 1
278.100000 2223.000000 1
279.100000 961.000000 1
280.050000 1482.000000 1
281.100000 457.000000 1
282.100000 142.000000 1
283.100000 76.000000 1
284.100000 68.000000 1
285.100000 111.000000 1
286.100000 57.000000 1
288.100000 36.000000 1
290.100000 105.000000 1
291.100000 226.000000 1
292.100000 190.000000 1
293.100000 76.000000 1
294.100000 143.000000 1
295.100000 39.000000 1
296.100000 47.000000 1
297.100000 26.000000 1
298.100000 6.000000 1
300.100000 76.000000 1
301.100000 76.000000 1
302.100000 38.000000 1
303.100000 132.000000 1
304.100000 36.000000 1
306.100000 551.000000 1
307.100000 19.000000 1
308.100000 591.000000 1
309.100000 321.000000 1
310.100000 220.000000 1
311.100000 183.000000 1
312.100000 26.000000 1
313.100000 33.000000 1
314.100000 71.000000 1
315.100000 74.000000 1
316.100000 166.000000 1
317.100000 92.000000 1
318.100000 60.000000 1
320.100000 343.000000 1
321.100000 186.000000 1
322.200000 1678.000000 1
323.200000 628.000000 1
324.200000 308.000000 1
325.200000 162.000000 1
326.200000 174.000000 1
327.200000 73.000000 1
328.200000 103.000000 1
329.200000 54.000000 1
330.200000 39.000000 1
331.200000 54.000000 1
332.200000 127.000000 1
334.200000 193.000000 1
335.200000 68.000000 1
336.200000 764.000000 1
337.250000 3348.000000 1
338.200000 203932.000000 82
339.200000 69926.000000 28
340.150000 31606.000000 13
341.150000 7419.000000 3
342.100000 1506.000000 1
343.100000 183.000000 1
344.100000 106.000000 1
345.100000 114.000000 1
346.100000 11.000000 1
347.100000 33.000000 1
348.100000 19.000000 1
350.100000 16.000000 1
351.250000 970.000000 1
352.250000 5140.000000 2
353.200000 1713.000000 1
354.200000 822.000000 1
355.200000 324.000000 1
356.200000 5.000000 1
357.200000 86.000000 1
359.200000 24.000000 1
360.200000 52.000000 1
361.200000 34.000000 1
362.200000 22.000000 1
363.200000 46.000000 1
364.200000 39.000000 1
365.200000 114.000000 1
367.200000 38.000000 1
368.200000 34.000000 1
371.200000 81.000000 1
372.200000 94.000000 1
373.200000 46.000000 1
374.200000 106.000000 1
375.200000 29.000000 1
376.200000 19.000000 1
377.200000 63.000000 1
379.200000 44.000000 1
383.200000 39.000000 1
384.200000 36.000000 1
385.200000 18.000000 1
386.200000 11.000000 1
387.200000 34.000000 1
389.200000 46.000000 1
390.200000 13.000000 1
391.200000 113.000000 1
392.200000 54.000000 1
394.200000 24.000000 1
395.200000 108.000000 1
396.200000 47.000000 1
397.200000 27.000000 1
398.200000 58.000000 1
399.200000 127.000000 1
400.200000 22.000000 1
401.200000 86.000000 1
403.200000 27.000000 1
404.200000 13.000000 1
405.200000 73.000000 1
406.200000 62.000000 1
407.200000 54.000000 1
408.200000 13.000000 1
409.200000 79.000000 1
410.200000 14.000000 1
411.200000 98.000000 1
412.200000 14.000000 1
415.200000 60.000000 1
416.200000 68.000000 1
417.200000 16.000000 1
418.200000 38.000000 1
419.200000 63.000000 1
420.200000 44.000000 1
421.200000 159.000000 1
422.200000 74.000000 1
423.200000 55.000000 1
424.200000 6.000000 1
425.200000 111.000000 1
426.200000 138.000000 1
427.200000 132.000000 1
428.200000 27.000000 1
430.200000 89.000000 1
431.200000 118.000000 1
432.200000 54.000000 1
433.200000 11.000000 1
434.200000 10.000000 1
435.200000 81.000000 1
436.200000 90.000000 1
438.200000 39.000000 1
439.200000 145.000000 1
440.200000 38.000000 1
442.200000 70.000000 1
443.200000 21.000000 1
444.200000 16.000000 1
445.200000 13.000000 1
446.200000 49.000000 1
449.200000 14.000000 1
450.200000 29.000000 1
452.200000 86.000000 1
454.200000 47.000000 1
455.200000 49.000000 1
458.200000 27.000000 1
459.200000 47.000000 1
460.200000 143.000000 1
461.200000 29.000000 1
462.200000 8.000000 1
464.200000 34.000000 1
465.200000 87.000000 1
468.200000 11.000000 1
470.200000 74.000000 1
471.200000 14.000000 1
472.200000 97.000000 1
473.200000 2.000000 1
474.200000 62.000000 1
475.200000 100.000000 1
476.200000 8.000000 1
477.200000 33.000000 1
478.200000 19.000000 1
479.200000 30.000000 1
480.200000 19.000000 1
481.200000 8.000000 1
483.200000 71.000000 1
485.200000 62.000000 1
486.200000 38.000000 1
487.200000 5.000000 1
488.200000 39.000000 1
489.200000 19.000000 1
490.200000 46.000000 1
495.200000 30.000000 1
//