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
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  106.16283 377977 11
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  129.12431 130622 4
  130.14907 219728 6
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  132.14593 590094 17
  134.10453 101277 3
  135.14357 208733 6
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  138.1167 1512235 44
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  140.13098 1511464 44
  141.1461 300686 9
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  168.13718 256851 8
  174.08778 206454 6
  175.12811 231946 7
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  180.13352 1733973 51
  181.12497 408170 12
  186.09809 261362 8
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  189.10942 230903 7
  190.13515 745104 22
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  192.14624 1504245 44
  193.15137 3949305 116
  194.15315 841524 25
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  201.07984 351237 10
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  205.15535 505860 15
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  209.16717 708062 21
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  214.10394 1421949 42
  215.0883 213584 6
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  219.12441 379746 11
  220.14095 396881 12
  221.12783 936480 28
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  227.09845 2888686 85
  228.10281 7069658 208
  229.10212 1843806 54
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  240.07213 276721 8
  241.08231 1328554 39
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  243.09202 6334526 186
  244.08513 493272 14
  245.09823 833822 24
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  254.06914 1507092 44
  255.06663 8968807 263
  256.06089 3232583 95
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  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
//