MassBank Record: MSBNK-JEOL_Ltd-JEL00042
ACCESSION: MSBNK-JEOL_Ltd-JEL00042
RECORD_TITLE: Temazepam; MALDI-TOFTOF; MS2; CE: 20keV; [M+H]+
DATE: 2016.01.19 (Created 2012.06.18)
AUTHORS: JEOL Ltd.
LICENSE: CC BY-NC-SA
COPYRIGHT: Copyright (c) 2012 JEOL Ltd.
CH$NAME: Temazepam
CH$COMPOUND_CLASS: Non-Natural Product
CH$FORMULA: C16H13ClN2O2
CH$EXACT_MASS: 300.06656
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NC(O)C(=O)N(C)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3
CH$LINK: INCHIKEY
SEQDDYPDSLOBDC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8021309
CH$LINK: PUBCHEM
CID:5391
AC$INSTRUMENT: JMS-S3000
AC$INSTRUMENT_TYPE: MALDI-TOFTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_M/Z 301.07383
PK$SPLASH: splash10-003r-9570000000-d80dee671a86e7bf5ce6
PK$NUM_PEAK: 169
PK$PEAK: m/z int. rel.int.
12.07081 393978 12
13.09099 472402 14
14.0772 385426 11
15.08649 3962387 116
25.09895 759356 22
26.10157 1952337 57
27.09748 2316777 68
28.0922 4760660 140
29.07996 5015304 147
30.09747 2459524 72
31.09982 267898 8
35.04248 315180 9
36.10778 512214 15
37.1115 2971024 87
38.11761 3385270 99
39.11806 4226602 124
40.11125 569920 17
41.12263 574953 17
42.12521 1068532 31
43.10681 200981 6
44.11868 728022 21
45.1263 260050 8
47.09567 393354 12
48.0925 304932 9
49.12432 1590404 47
50.12053 6829156 201
51.12347 8418785 247
52.12611 3174691 93
53.11703 498444 15
54.13619 331655 10
56.12988 292920 9
58.1215 544612 16
60.0775 586358 17
61.11165 1981734 58
62.11099 3385312 99
63.11 4382823 129
64.11538 1367036 40
65.11531 998260 29
66.12156 714704 21
72.08452 422815 12
73.08311 1926242 57
74.11677 4159166 122
75.12111 4366205 128
76.1223 3101875 91
77.13624 7457714 219
78.14176 738546 22
79.14827 421528 12
84.08363 480808 14
85.12168 968481 28
86.1215 1675539 49
87.12348 1795893 53
88.11961 1229151 36
89.13279 1516331 45
90.13035 781762 23
91.14107 795130 23
98.12029 1513032 44
99.11959 1692808 50
100.11921 1036826 30
101.13995 537828 16
102.14335 1191349 35
103.13381 776414 23
104.14963 4088405 120
105.14492 421524 12
106.16283 377977 11
107.14384 213398 6
109.11332 359943 11
110.10942 976788 29
111.10938 1936308 57
112.12262 564941 17
113.14096 1079378 32
114.14795 1031763 30
115.13851 785387 23
116.14012 452836 13
117.15778 485346 14
118.18006 243907 7
122.11813 313738 9
123.11554 499351 15
124.10325 1062898 31
125.11638 1271958 37
126.14869 1374835 40
127.13227 1464910 43
128.14148 1140277 34
129.12431 130622 4
130.14907 219728 6
131.17332 210081 6
132.14593 590094 17
134.10453 101277 3
135.14357 208733 6
136.10272 922866 27
137.11658 722834 21
138.1167 1512235 44
139.14785 1246545 37
140.13098 1511464 44
141.1461 300686 9
142.14106 423782 12
147.0868 141118 4
149.11081 409773 12
150.12198 2449405 72
151.12883 2223946 65
152.13118 2539318 75
153.13532 508957 15
154.14242 269241 8
162.12926 313894 9
163.12212 1706807 50
164.13487 1331082 39
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166.14246 1419192 42
167.11997 1181360 35
168.13718 256851 8
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175.12811 231946 7
176.12137 520554 15
177.12748 2029685 60
178.13085 1018198 30
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180.13352 1733973 51
181.12497 408170 12
186.09809 261362 8
187.08764 140875 4
188.12942 247777 7
189.10942 230903 7
190.13515 745104 22
191.14692 928654 27
192.14624 1504245 44
193.15137 3949305 116
194.15315 841524 25
195.12346 603020 18
199.09726 882329 26
201.07984 351237 10
202.10864 261270 8
203.11497 307918 9
204.10905 205783 6
205.15535 505860 15
206.15171 380647 11
207.14496 563416 17
208.15973 645137 19
209.16717 708062 21
212.0504 234810 7
213.09613 705823 21
214.10394 1421949 42
215.0883 213584 6
216.12557 675214 20
219.12441 379746 11
220.14095 396881 12
221.12783 936480 28
226.09584 1066824 31
227.09845 2888686 85
228.10281 7069658 208
229.10212 1843806 54
239.07064 679434 20
240.07213 276721 8
241.08231 1328554 39
242.07162 652938 19
243.09202 6334526 186
244.08513 493272 14
245.09823 833822 24
253.06429 426206 13
254.06914 1507092 44
255.06663 8968807 263
256.06089 3232583 95
257.05114 2845867 84
265.13966 248004 7
266.11326 528018 16
269.06261 202240 6
270.15974 324774 10
271.07552 2480339 73
272.06276 241258 7
281.96502 260438 8
282.99366 34003941 999
//