MassBank Record: GLS00119



 L-(+)-Lysine; EI-B; MS; 3 TMS; RT: 760.10 s 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //