ACCESSION: MSBNK-GL_Sciences_Inc-GLS00119
RECORD_TITLE: L-(+)-Lysine; EI-B; MS; 3 TMS; RT: 760.10 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: GLS
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$NAME: L-(+)-Lysine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₄N₂O₂
CH$EXACT_MASS: 146.10553
CH$SMILES: NCCCC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
CH$LINK: CAS 56-87-1
CH$LINK: CHEBI 18019
CH$LINK: KEGG C00047
CH$LINK: PUBCHEM 3349
CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N
CH$LINK: COMPTOX DTXSID6023232

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$CHROMATOGRAPHY: RETENTION_INDEX 1868
AC$CHROMATOGRAPHY: RETENTION_TIME 760.10
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE GCMSsolution

PK$SPLASH: splash10-00di-0921000000-eeb49e57bc1a75193058
PK$NUM_PEAK: 366
PK$PEAK: m/z int. rel.int.
  87.100000 404.000000 22
  88.100000 566.000000 30
  89.100000 348.000000 19
  90.100000 156.000000 8
  91.100000 82.000000 4
  92.100000 106.000000 6
  93.100000 129.000000 7
  94.100000 391.000000 21
  95.100000 103.000000 6
  96.100000 108.000000 6
  97.100000 148.000000 8
  98.100000 238.000000 13
  99.100000 121.000000 7
  100.100000 2353.000000 127
  101.100000 236.000000 13
  102.150000 957.000000 52
  103.200000 190.000000 10
  104.200000 233.000000 13
  105.200000 42.000000 2
  106.200000 27.000000 1
  107.200000 106.000000 6
  108.200000 41.000000 2
  109.200000 138.000000 7
  110.200000 226.000000 12
  111.200000 183.000000 10
  112.200000 374.000000 20
  113.200000 305.000000 16
  114.200000 478.000000 26
  115.200000 262.000000 14
  116.200000 286.000000 15
  117.200000 369.000000 20
  118.200000 78.000000 4
  119.200000 145.000000 8
  120.200000 84.000000 5
  123.200000 34.000000 2
  124.200000 49.000000 3
  125.200000 24.000000 1
  126.200000 166.000000 9
  127.200000 258.000000 14
  128.200000 1214.000000 65
  129.200000 372.000000 20
  130.200000 823.000000 44
  131.200000 822.000000 44
  132.200000 324.000000 17
  133.200000 215.000000 12
  134.200000 145.000000 8
  135.200000 233.000000 13
  136.200000 86.000000 5
  137.200000 98.000000 5
  138.200000 86.000000 5
  139.200000 46.000000 2
  140.200000 86.000000 5
  141.200000 121.000000 7
  142.200000 598.000000 32
  143.200000 102.000000 5
  144.200000 358.000000 19
  145.200000 66.000000 4
  146.200000 572.000000 31
  147.100000 1316.000000 71
  148.100000 322.000000 17
  149.100000 242.000000 13
  150.100000 98.000000 5
  151.100000 60.000000 3
  152.100000 57.000000 3
  153.100000 110.000000 6
  154.100000 198.000000 11
  155.100000 286.000000 15
  156.300000 2948.000000 159
  157.300000 390.000000 21
  158.300000 316.000000 17
  159.300000 111.000000 6
  160.300000 57.000000 3
  161.300000 185.000000 10
  162.300000 151.000000 8
  163.300000 58.000000 3
  164.300000 62.000000 3
  165.300000 70.000000 4
  166.300000 134.000000 7
  167.300000 111.000000 6
  168.300000 809.000000 44
  169.300000 183.000000 10
  170.300000 116.000000 6
  171.300000 82.000000 4
  172.300000 290.000000 16
  173.200000 162.000000 9
  174.200000 18556.000000 999
  175.200000 3050.000000 164
  176.150000 1618.000000 87
  177.100000 289.000000 16
  178.100000 116.000000 6
  179.100000 92.000000 5
  181.100000 97.000000 5
  182.100000 29.000000 2
  183.100000 134.000000 7
  184.100000 244.000000 13
  185.100000 60.000000 3
  186.100000 431.000000 23
  187.100000 119.000000 6
  188.100000 210.000000 11
  189.100000 63.000000 3
  190.100000 50.000000 3
  191.100000 172.000000 9
  192.100000 166.000000 9
  193.100000 206.000000 11
  194.100000 206.000000 11
  195.100000 2.000000 1
  196.100000 100.000000 5
  198.100000 79.000000 4
  199.100000 154.000000 8
  200.150000 3653.000000 197
  201.200000 702.000000 38
  202.200000 234.000000 13
  203.200000 103.000000 6
  204.200000 34.000000 2
  205.200000 3.000000 1
  206.200000 8.000000 1
  207.200000 318.000000 17
  208.200000 167.000000 9
  209.200000 238.000000 13
  210.200000 26.000000 1
  212.200000 6.000000 1
  213.200000 6.000000 1
  215.200000 27.000000 1
  216.200000 124.000000 7
  217.200000 39.000000 2
  218.200000 113.000000 6
  219.200000 226.000000 12
  220.200000 73.000000 4
  221.200000 24.000000 1
  223.200000 84.000000 5
  225.200000 52.000000 3
  226.200000 78.000000 4
  227.200000 26.000000 1
  228.200000 105.000000 6
  229.200000 66.000000 4
  230.200000 655.000000 35
  231.200000 111.000000 6
  232.200000 33.000000 2
  234.200000 22.000000 1
  235.200000 63.000000 3
  236.200000 41.000000 2
  237.200000 33.000000 2
  239.200000 44.000000 2
  240.200000 30.000000 2
  241.200000 94.000000 5
  242.200000 89.000000 5
  243.200000 116.000000 6
  244.200000 84.000000 5
  245.200000 153.000000 8
  246.200000 27.000000 1
  248.200000 60.000000 3
  249.200000 111.000000 6
  251.200000 86.000000 5
  252.200000 86.000000 5
  253.200000 87.000000 5
  254.200000 44.000000 2
  255.200000 106.000000 6
  256.200000 74.000000 4
  257.200000 121.000000 7
  258.200000 1079.000000 58
  259.200000 257.000000 14
  260.200000 249.000000 13
  261.200000 60.000000 3
  262.200000 57.000000 3
  263.200000 71.000000 4
  264.200000 178.000000 10
  265.200000 52.000000 3
  266.200000 55.000000 3
  267.200000 142.000000 8
  268.200000 124.000000 7
  269.200000 41.000000 2
  270.200000 29.000000 2
  271.200000 42.000000 2
  272.200000 116.000000 6
  273.200000 70.000000 4
  274.200000 129.000000 7
  275.200000 41.000000 2
  276.200000 49.000000 3
  277.200000 73.000000 4
  278.200000 14.000000 1
  281.200000 26.000000 1
  282.200000 154.000000 8
  283.200000 66.000000 4
  284.200000 65.000000 3
  285.200000 44.000000 2
  286.200000 90.000000 5
  287.200000 70.000000 4
  288.200000 3.000000 1
  289.200000 206.000000 11
  290.200000 10.000000 1
  292.200000 86.000000 5
  293.200000 13.000000 1
  295.200000 84.000000 5
  296.200000 47.000000 3
  297.200000 98.000000 5
  298.200000 16.000000 1
  299.200000 66.000000 4
  300.200000 16.000000 1
  301.200000 57.000000 3
  302.200000 71.000000 4
  303.200000 103.000000 6
  304.200000 31.000000 2
  305.200000 76.000000 4
  306.200000 86.000000 5
  307.200000 76.000000 4
  308.200000 10.000000 1
  309.200000 50.000000 3
  311.200000 27.000000 1
  312.200000 60.000000 3
  315.200000 10.000000 1
  316.200000 13.000000 1
  317.200000 148.000000 8
  318.200000 102.000000 5
  319.200000 33.000000 2
  322.200000 63.000000 3
  323.200000 52.000000 3
  324.200000 33.000000 2
  325.200000 24.000000 1
  326.200000 150.000000 8
  327.200000 129.000000 7
  328.200000 42.000000 2
  329.200000 10.000000 1
  330.200000 57.000000 3
  331.200000 81.000000 4
  332.200000 2.000000 1
  333.200000 10.000000 1
  334.200000 74.000000 4
  337.200000 65.000000 3
  338.200000 14.000000 1
  339.200000 52.000000 3
  340.200000 2.000000 1
  341.200000 42.000000 2
  342.200000 74.000000 4
  343.200000 84.000000 5
  344.200000 29.000000 2
  346.200000 74.000000 4
  347.200000 39.000000 2
  348.200000 39.000000 2
  349.200000 65.000000 3
  350.200000 118.000000 6
  351.200000 142.000000 8
  352.200000 49.000000 3
  353.200000 31.000000 2
  355.200000 103.000000 6
  356.200000 50.000000 3
  357.200000 95.000000 5
  359.200000 5.000000 1
  360.200000 16.000000 1
  361.200000 2.000000 1
  362.200000 668.000000 36
  363.200000 110.000000 6
  364.200000 113.000000 6
  366.200000 105.000000 6
  367.200000 87.000000 5
  368.200000 68.000000 4
  370.200000 159.000000 9
  371.200000 74.000000 4
  372.200000 74.000000 4
  373.200000 10.000000 1
  375.200000 63.000000 3
  376.200000 26.000000 1
  377.200000 66.000000 4
  379.200000 100.000000 5
  380.200000 39.000000 2
  381.200000 71.000000 4
  383.200000 78.000000 4
  387.200000 132.000000 7
  388.200000 66.000000 4
  389.200000 118.000000 6
  390.200000 41.000000 2
  391.200000 41.000000 2
  392.200000 52.000000 3
  393.200000 60.000000 3
  394.200000 57.000000 3
  395.200000 97.000000 5
  396.200000 47.000000 3
  397.200000 114.000000 6
  398.200000 13.000000 1
  399.200000 11.000000 1
  400.200000 31.000000 2
  402.200000 62.000000 3
  403.200000 55.000000 3
  404.200000 31.000000 2
  405.200000 65.000000 3
  406.200000 54.000000 3
  407.200000 49.000000 3
  408.200000 118.000000 6
  409.200000 55.000000 3
  410.200000 50.000000 3
  411.200000 106.000000 6
  412.200000 63.000000 3
  413.200000 26.000000 1
  414.200000 106.000000 6
  416.200000 24.000000 1
  417.200000 57.000000 3
  418.200000 97.000000 5
  420.200000 108.000000 6
  421.200000 44.000000 2
  423.200000 5.000000 1
  424.200000 5.000000 1
  425.200000 140.000000 8
  426.200000 47.000000 3
  427.200000 39.000000 2
  428.200000 33.000000 2
  429.200000 126.000000 7
  430.200000 90.000000 5
  431.200000 70.000000 4
  432.200000 30.000000 2
  433.200000 143.000000 8
  434.200000 52.000000 3
  435.200000 81.000000 4
  436.200000 102.000000 5
  437.200000 30.000000 2
  438.200000 79.000000 4
  439.200000 5.000000 1
  441.200000 161.000000 9
  442.200000 68.000000 4
  444.200000 74.000000 4
  445.200000 63.000000 3
  446.200000 100.000000 5
  447.200000 111.000000 6
  448.200000 16.000000 1
  449.200000 57.000000 3
  450.200000 89.000000 5
  451.200000 26.000000 1
  452.200000 95.000000 5
  453.200000 76.000000 4
  454.200000 6.000000 1
  455.200000 21.000000 1
  456.200000 47.000000 3
  459.200000 42.000000 2
  460.200000 6.000000 1
  461.200000 129.000000 7
  462.200000 145.000000 8
  463.200000 18.000000 1
  464.200000 11.000000 1
  465.200000 65.000000 3
  466.200000 49.000000 3
  467.200000 130.000000 7
  468.200000 31.000000 2
  469.200000 102.000000 5
  470.200000 16.000000 1
  471.200000 41.000000 2
  472.200000 39.000000 2
  473.200000 19.000000 1
  474.200000 27.000000 1
  475.200000 100.000000 5
  476.200000 14.000000 1
  477.200000 29.000000 2
  478.200000 26.000000 1
  480.200000 74.000000 4
  481.200000 47.000000 3
  483.200000 54.000000 3
  484.200000 54.000000 3
  485.200000 42.000000 2
  486.200000 14.000000 1
  487.200000 142.000000 8
  489.200000 13.000000 1
  490.200000 10.000000 1
  491.200000 44.000000 2
  492.200000 3.000000 1
  493.200000 36.000000 2
  494.200000 70.000000 4
  495.200000 87.000000 5
  497.200000 33.000000 2
  498.200000 52.000000 3
//