ACCESSION: MSBNK-GL_Sciences_Inc-GLS00152
RECORD_TITLE: Homoserine lactone; EI-B; MS; n TMS; RT: 582.50 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$NAME: Homoserine lactone
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄H₇NO₂
CH$EXACT_MASS: 101.04768
CH$SMILES: NC(C1)C(=O)OC1
CH$IUPAC: InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2
CH$LINK: CAS 1192-20-7
CH$LINK: CHEBI 17289
CH$LINK: KEGG C02926
CH$LINK: PUBCHEM 5848
CH$LINK: INCHIKEY QJPWUUJVYOJNMH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00862589

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$CHROMATOGRAPHY: RETENTION_INDEX 1504
AC$CHROMATOGRAPHY: RETENTION_TIME 582.50
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0uk9-0950000000-03048a23c7fb90226a53
PK$NUM_PEAK: 335
PK$PEAK: m/z int. rel.int.
  86.000000 553.000000 54
  87.000000 239.000000 24
  88.000000 102.000000 10
  89.000000 111.000000 11
  90.000000 36.000000 4
  91.000000 44.000000 4
  92.000000 73.000000 7
  93.000000 116.000000 11
  95.000000 134.000000 13
  96.000000 27.000000 3
  97.000000 106.000000 10
  98.000000 388.000000 38
  99.000000 166.000000 16
  100.000000 1495.000000 147
  101.000000 412.000000 41
  102.000000 318.000000 31
  103.000000 386.000000 38
  104.000000 57.000000 6
  105.000000 116.000000 11
  107.000000 113.000000 11
  108.000000 292.000000 29
  109.000000 50.000000 5
  110.000000 50.000000 5
  111.000000 98.000000 10
  112.100000 1673.000000 165
  113.100000 335.000000 33
  114.100000 2118.000000 209
  115.100000 569.000000 56
  116.100000 362.000000 36
  117.100000 337.000000 33
  118.100000 94.000000 9
  119.100000 135.000000 13
  120.100000 73.000000 7
  121.100000 42.000000 4
  122.100000 92.000000 9
  123.100000 92.000000 9
  126.100000 81.000000 8
  127.100000 49.000000 5
  128.100000 1452.000000 143
  129.100000 590.000000 58
  130.100000 881.000000 87
  131.100000 980.000000 97
  132.100000 122.000000 12
  133.100000 615.000000 61
  134.100000 89.000000 9
  135.100000 81.000000 8
  136.100000 57.000000 6
  137.100000 44.000000 4
  138.100000 62.000000 6
  139.100000 38.000000 4
  140.100000 2.000000 1
  141.100000 159.000000 16
  142.100000 106.000000 10
  143.100000 21.000000 2
  144.100000 94.000000 9
  145.100000 298.000000 29
  146.100000 114.000000 11
  147.100000 5383.000000 530
  148.100000 1025.000000 101
  149.100000 383.000000 38
  150.100000 103.000000 10
  151.100000 54.000000 5
  153.100000 54.000000 5
  155.100000 33.000000 3
  156.100000 204.000000 20
  157.100000 119.000000 12
  158.100000 90.000000 9
  159.100000 188.000000 19
  160.100000 55.000000 5
  161.100000 94.000000 9
  162.100000 10.000000 1
  163.100000 60.000000 6
  165.100000 60.000000 6
  166.100000 70.000000 7
  167.100000 66.000000 7
  168.100000 86.000000 8
  169.100000 47.000000 5
  170.100000 199.000000 20
  171.100000 140.000000 14
  172.100000 10143.000000 999
  173.100000 1687.000000 166
  174.100000 900.000000 89
  175.100000 63.000000 6
  176.100000 95.000000 9
  177.100000 62.000000 6
  178.100000 16.000000 2
  179.100000 6.000000 1
  181.100000 129.000000 13
  182.100000 146.000000 14
  183.100000 47.000000 5
  185.100000 111.000000 11
  186.100000 4042.000000 398
  187.100000 1124.000000 111
  188.100000 500.000000 49
  189.100000 218.000000 21
  190.100000 50.000000 5
  191.100000 70.000000 7
  192.100000 78.000000 8
  194.100000 41.000000 4
  195.100000 108.000000 11
  196.100000 19.000000 2
  197.100000 26.000000 3
  199.100000 60.000000 6
  200.100000 172.000000 17
  201.050000 1010.000000 99
  202.050000 9608.000000 946
  203.050000 2200.000000 217
  204.000000 892.000000 88
  205.000000 183.000000 18
  206.000000 86.000000 8
  207.000000 29.000000 3
  209.000000 52.000000 5
  210.000000 54.000000 5
  211.000000 86.000000 8
  212.000000 68.000000 7
  213.000000 14.000000 1
  214.000000 159.000000 16
  215.000000 42.000000 4
  216.000000 49.000000 5
  217.000000 29.000000 3
  218.000000 49.000000 5
  219.000000 378.000000 37
  220.000000 46.000000 5
  221.000000 70.000000 7
  222.000000 11.000000 1
  223.000000 89.000000 9
  224.000000 90.000000 9
  225.000000 11.000000 1
  226.000000 52.000000 5
  228.000000 127.000000 13
  229.000000 66.000000 7
  230.050000 4826.000000 475
  231.050000 1132.000000 111
  232.100000 442.000000 44
  233.100000 114.000000 11
  234.100000 57.000000 6
  235.100000 70.000000 7
  236.100000 66.000000 7
  237.100000 3.000000 1
  240.100000 3.000000 1
  242.100000 27.000000 3
  243.100000 36.000000 4
  244.100000 190.000000 19
  245.100000 119.000000 12
  246.100000 90.000000 9
  250.100000 2.000000 1
  251.100000 27.000000 3
  253.100000 113.000000 11
  254.100000 58.000000 6
  255.100000 27.000000 3
  256.100000 11.000000 1
  259.100000 46.000000 5
  260.100000 57.000000 6
  261.100000 21.000000 2
  263.100000 68.000000 7
  264.100000 102.000000 10
  265.100000 74.000000 7
  266.100000 42.000000 4
  267.100000 74.000000 7
  268.100000 90.000000 9
  269.100000 60.000000 6
  270.100000 8.000000 1
  271.100000 29.000000 3
  272.100000 92.000000 9
  273.100000 138.000000 14
  274.100000 49.000000 5
  275.100000 58.000000 6
  276.100000 60.000000 6
  278.100000 68.000000 7
  280.100000 31.000000 3
  281.100000 58.000000 6
  284.100000 46.000000 5
  285.100000 16.000000 2
  286.100000 24.000000 2
  287.100000 14.000000 1
  291.100000 36.000000 4
  294.100000 105.000000 10
  295.100000 13.000000 1
  296.100000 52.000000 5
  297.100000 18.000000 2
  298.100000 52.000000 5
  299.100000 2.000000 1
  301.100000 3.000000 1
  302.100000 26.000000 3
  304.100000 2.000000 1
  305.100000 78.000000 8
  306.100000 79.000000 8
  307.100000 54.000000 5
  308.100000 26.000000 3
  310.100000 89.000000 9
  311.100000 60.000000 6
  312.100000 34.000000 3
  313.100000 44.000000 4
  314.100000 21.000000 2
  315.100000 19.000000 2
  317.100000 102.000000 10
  320.100000 42.000000 4
  321.100000 31.000000 3
  323.100000 24.000000 2
  326.100000 6.000000 1
  327.100000 84.000000 8
  328.100000 108.000000 11
  329.100000 138.000000 14
  330.100000 74.000000 7
  331.100000 161.000000 16
  332.100000 44.000000 4
  333.100000 39.000000 4
  335.100000 162.000000 16
  336.100000 95.000000 9
  337.100000 106.000000 10
  338.100000 81.000000 8
  340.100000 55.000000 5
  341.100000 46.000000 5
  342.100000 38.000000 4
  344.100000 49.000000 5
  345.100000 31.000000 3
  346.100000 81.000000 8
  347.100000 97.000000 10
  348.100000 54.000000 5
  349.100000 49.000000 5
  350.100000 86.000000 8
  352.100000 47.000000 5
  355.100000 70.000000 7
  356.100000 39.000000 4
  357.100000 31.000000 3
  358.100000 6.000000 1
  359.100000 52.000000 5
  360.100000 70.000000 7
  362.100000 10.000000 1
  363.100000 57.000000 6
  364.100000 26.000000 3
  367.100000 58.000000 6
  369.100000 54.000000 5
  370.100000 66.000000 7
  373.100000 10.000000 1
  374.100000 6.000000 1
  375.100000 60.000000 6
  376.100000 34.000000 3
  378.100000 6.000000 1
  379.100000 18.000000 2
  380.100000 52.000000 5
  381.100000 92.000000 9
  382.100000 46.000000 5
  383.100000 5.000000 1
  384.100000 19.000000 2
  385.100000 46.000000 5
  386.100000 13.000000 1
  388.100000 29.000000 3
  390.100000 29.000000 3
  391.100000 22.000000 2
  392.100000 26.000000 3
  393.100000 31.000000 3
  395.100000 90.000000 9
  397.100000 63.000000 6
  398.100000 39.000000 4
  399.100000 65.000000 6
  400.100000 74.000000 7
  401.100000 145.000000 14
  402.100000 66.000000 7
  404.100000 16.000000 2
  405.100000 130.000000 13
  406.100000 71.000000 7
  409.100000 13.000000 1
  410.100000 14.000000 1
  411.100000 26.000000 3
  413.100000 41.000000 4
  414.100000 21.000000 2
  415.100000 38.000000 4
  416.100000 31.000000 3
  418.100000 41.000000 4
  419.100000 116.000000 11
  420.100000 2.000000 1
  421.100000 24.000000 2
  422.100000 87.000000 9
  423.100000 68.000000 7
  424.100000 52.000000 5
  426.100000 100.000000 10
  427.100000 14.000000 1
  428.100000 8.000000 1
  429.100000 8.000000 1
  431.100000 36.000000 4
  432.100000 86.000000 8
  433.100000 73.000000 7
  434.100000 81.000000 8
  437.100000 19.000000 2
  438.100000 103.000000 10
  439.100000 21.000000 2
  440.100000 66.000000 7
  441.100000 95.000000 9
  442.100000 87.000000 9
  443.100000 52.000000 5
  444.100000 21.000000 2
  445.100000 102.000000 10
  449.100000 70.000000 7
  450.100000 65.000000 6
  453.100000 103.000000 10
  454.100000 174.000000 17
  455.100000 5.000000 1
  456.100000 21.000000 2
  457.100000 47.000000 5
  458.100000 42.000000 4
  459.100000 21.000000 2
  460.100000 98.000000 10
  461.100000 95.000000 9
  462.100000 29.000000 3
  463.100000 46.000000 5
  464.100000 44.000000 4
  465.100000 49.000000 5
  466.100000 138.000000 14
  467.100000 134.000000 13
  468.100000 19.000000 2
  469.100000 44.000000 4
  470.100000 21.000000 2
  472.100000 89.000000 9
  474.100000 49.000000 5
  476.100000 68.000000 7
  478.100000 42.000000 4
  479.100000 78.000000 8
  480.100000 42.000000 4
  481.100000 36.000000 4
  482.100000 66.000000 7
  484.100000 81.000000 8
  485.100000 95.000000 9
  486.100000 89.000000 9
  488.100000 44.000000 4
  489.100000 10.000000 1
  490.100000 102.000000 10
  492.100000 11.000000 1
  493.100000 79.000000 8
  494.100000 90.000000 9
  495.100000 11.000000 1
  496.100000 26.000000 3
  497.100000 11.000000 1
  498.100000 71.000000 7
  499.100000 5.000000 1
//