MassBank Record: GLS00116



 Cadaverine; EI-B; MS; 4 TMS; RT: 755.70 s 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: GLS00116
RECORD_TITLE: Cadaverine; EI-B; MS; 4 TMS; RT: 755.70 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$NAME: Cadaverine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H14N2 CH$EXACT_MASS: 102.11570 CH$SMILES: NCCCCCN CH$IUPAC: InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2 CH$LINK: CAS 462-94-2 CH$LINK: CHEBI 18127 CH$LINK: KEGG C01672 CH$LINK: PUBCHEM 4816
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$CHROMATOGRAPHY: RETENTION_INDEX 1858 AC$CHROMATOGRAPHY: RETENTION_TIME 755.70 AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE GCMSsolution
PK$SPLASH: splash10-00di-0900000000-6c77753590d7da1f84df PK$NUM_PEAK: 371 PK$PEAK: m/z int. rel.int. 86.050000 256117.000000 86 87.050000 27413.000000 9 88.050000 36771.000000 12 89.050000 3322.000000 1 90.050000 1160.000000 1 91.100000 220.000000 1 92.100000 38.000000 1 93.100000 225.000000 1 94.100000 71.000000 1 95.100000 567.000000 1 96.100000 764.000000 1 97.100000 2882.000000 1 98.050000 9728.000000 3 99.100000 11503.000000 4 100.100000 126751.000000 43 101.100000 18740.000000 6 102.100000 28994.000000 10 103.050000 5564.000000 2 104.100000 1601.000000 1 105.100000 396.000000 1 106.100000 2918.000000 1 107.100000 279.000000 1 108.100000 102.000000 1 109.100000 468.000000 1 110.100000 1758.000000 1 111.150000 1270.000000 1 112.100000 43870.000000 15 113.100000 11444.000000 4 114.100000 17372.000000 6 115.100000 8956.000000 3 116.100000 17249.000000 6 117.100000 19743.000000 7 118.100000 4815.000000 2 119.100000 1546.000000 1 120.100000 462.000000 1 121.100000 161.000000 1 122.100000 11.000000 1 123.100000 305.000000 1 124.100000 3674.000000 1 125.150000 802.000000 1 126.100000 12820.000000 4 127.100000 2020.000000 1 128.100000 13550.000000 5 129.150000 6602.000000 2 130.100000 69353.000000 23 131.100000 42510.000000 14 132.100000 18193.000000 6 133.100000 4431.000000 1 134.100000 745.000000 1 135.100000 625.000000 1 136.100000 436.000000 1 137.100000 154.000000 1 138.150000 4330.000000 1 139.150000 1193.000000 1 140.150000 28653.000000 10 141.150000 4143.000000 1 142.150000 12705.000000 4 143.200000 14119.000000 5 144.150000 12221.000000 4 145.150000 3361.000000 1 146.150000 34427.000000 12 147.200000 6086.000000 2 148.100000 2889.000000 1 149.100000 212.000000 1 150.100000 354.000000 1 151.100000 207.000000 1 152.100000 162.000000 1 153.200000 598.000000 1 154.200000 16018.000000 5 155.150000 4260.000000 1 156.200000 15855.000000 5 157.150000 3914.000000 1 158.150000 25735.000000 9 159.150000 5769.000000 2 160.150000 37762.000000 13 161.200000 7233.000000 2 162.100000 2761.000000 1 163.100000 242.000000 1 164.100000 153.000000 1 165.100000 97.000000 1 166.100000 119.000000 1 167.100000 286.000000 1 168.100000 1110.000000 1 169.200000 434.000000 1 170.150000 5370.000000 2 171.150000 1905.000000 1 172.150000 49766.000000 17 173.250000 35811.000000 12 174.150000 2967581.000000 999 175.200000 490422.000000 165 176.150000 219691.000000 74 177.150000 26448.000000 9 178.150000 4995.000000 2 179.200000 510.000000 1 180.200000 7330.000000 2 181.150000 1888.000000 1 182.200000 506.000000 1 183.100000 425.000000 1 184.100000 5716.000000 2 185.150000 2084.000000 1 186.150000 38781.000000 13 187.150000 8679.000000 3 188.150000 14270.000000 5 189.100000 2727.000000 1 190.100000 1662.000000 1 191.100000 249.000000 1 192.100000 30.000000 1 194.100000 135.000000 1 195.100000 246.000000 1 196.100000 498.000000 1 197.100000 345.000000 1 198.100000 5889.000000 2 199.250000 2102.000000 1 200.150000 44773.000000 15 201.150000 9146.000000 3 202.100000 6081.000000 2 203.150000 1463.000000 1 204.100000 1441.000000 1 205.100000 350.000000 1 206.100000 166.000000 1 207.100000 150.000000 1 208.100000 198.000000 1 209.100000 118.000000 1 210.100000 343.000000 1 211.200000 454.000000 1 212.150000 8889.000000 3 213.150000 5011.000000 2 214.200000 19458.000000 7 215.150000 3980.000000 1 216.200000 30353.000000 10 217.200000 6762.000000 2 218.150000 5475.000000 2 219.100000 1543.000000 1 220.100000 402.000000 1 221.100000 150.000000 1 222.100000 76.000000 1 223.100000 119.000000 1 224.100000 52.000000 1 225.100000 199.000000 1 226.150000 1014.000000 1 227.150000 6222.000000 2 228.200000 11830.000000 4 229.200000 93626.000000 32 230.150000 23792.000000 8 231.150000 9272.000000 3 232.150000 1847.000000 1 233.200000 356.000000 1 234.200000 172.000000 1 235.200000 21.000000 1 236.200000 73.000000 1 237.200000 33.000000 1 238.200000 89.000000 1 239.200000 82.000000 1 240.200000 228.000000 1 241.200000 324.000000 1 242.200000 946.000000 1 243.200000 398.000000 1 244.200000 633.000000 1 245.200000 326.000000 1 246.200000 143.000000 1 247.200000 31.000000 1 248.200000 58.000000 1 249.200000 6.000000 1 250.200000 103.000000 1 251.200000 50.000000 1 252.200000 71.000000 1 253.200000 130.000000 1 254.200000 68.000000 1 255.200000 29.000000 1 256.200000 84.000000 1 257.200000 170.000000 1 258.200000 183.000000 1 259.200000 354.000000 1 260.200000 122.000000 1 261.200000 222.000000 1 263.200000 71.000000 1 264.200000 167.000000 1 265.200000 60.000000 1 266.200000 16.000000 1 267.200000 183.000000 1 268.200000 130.000000 1 269.200000 142.000000 1 270.200000 194.000000 1 271.200000 350.000000 1 273.200000 34.000000 1 274.200000 30.000000 1 275.200000 71.000000 1 276.200000 103.000000 1 279.200000 10.000000 1 280.200000 111.000000 1 281.200000 87.000000 1 282.200000 58.000000 1 284.200000 103.000000 1 285.200000 68.000000 1 286.200000 193.000000 1 287.200000 959.000000 1 288.200000 511.000000 1 289.200000 425.000000 1 290.200000 148.000000 1 291.200000 156.000000 1 292.200000 86.000000 1 293.200000 57.000000 1 294.200000 82.000000 1 295.200000 73.000000 1 297.200000 44.000000 1 298.200000 87.000000 1 299.200000 65.000000 1 300.200000 74.000000 1 301.200000 590.000000 1 302.200000 110.000000 1 303.200000 794.000000 1 304.200000 268.000000 1 305.200000 166.000000 1 306.200000 55.000000 1 307.200000 41.000000 1 308.200000 89.000000 1 309.200000 132.000000 1 311.200000 47.000000 1 312.200000 21.000000 1 313.200000 87.000000 1 314.200000 106.000000 1 315.200000 748.000000 1 316.200000 388.000000 1 317.200000 722.000000 1 318.200000 222.000000 1 319.200000 198.000000 1 320.200000 29.000000 1 322.200000 92.000000 1 323.200000 63.000000 1 324.200000 114.000000 1 325.200000 78.000000 1 326.200000 18.000000 1 327.200000 34.000000 1 328.200000 78.000000 1 329.200000 142.000000 1 330.200000 24.000000 1 331.200000 180.000000 1 332.200000 76.000000 1 333.200000 22.000000 1 334.200000 154.000000 1 335.200000 30.000000 1 337.200000 47.000000 1 338.200000 68.000000 1 339.200000 102.000000 1 341.200000 132.000000 1 342.200000 76.000000 1 343.200000 55.000000 1 344.200000 52.000000 1 345.200000 108.000000 1 346.200000 47.000000 1 347.200000 94.000000 1 349.200000 71.000000 1 350.200000 66.000000 1 351.200000 36.000000 1 352.200000 113.000000 1 353.200000 49.000000 1 354.200000 60.000000 1 355.200000 102.000000 1 357.200000 2.000000 1 358.200000 87.000000 1 360.200000 167.000000 1 361.200000 55.000000 1 362.200000 76.000000 1 363.200000 6.000000 1 364.200000 86.000000 1 365.200000 11.000000 1 366.200000 79.000000 1 368.200000 46.000000 1 369.200000 66.000000 1 370.200000 113.000000 1 372.200000 49.000000 1 373.200000 178.000000 1 374.350000 2597.000000 1 375.300000 216265.000000 73 376.300000 84834.000000 29 377.300000 43682.000000 15 378.300000 11532.000000 4 379.350000 3379.000000 1 380.300000 503.000000 1 381.300000 156.000000 1 382.300000 92.000000 1 384.300000 47.000000 1 387.300000 36.000000 1 388.300000 66.000000 1 389.350000 10117.000000 3 390.350000 24843.000000 8 391.350000 9979.000000 3 392.350000 5507.000000 2 393.300000 1074.000000 1 394.300000 473.000000 1 395.300000 58.000000 1 396.300000 74.000000 1 397.300000 8.000000 1 398.300000 49.000000 1 402.300000 58.000000 1 403.300000 79.000000 1 405.300000 87.000000 1 406.300000 8.000000 1 407.300000 31.000000 1 408.300000 92.000000 1 410.300000 159.000000 1 411.300000 46.000000 1 412.300000 16.000000 1 413.300000 27.000000 1 414.300000 5.000000 1 415.300000 78.000000 1 416.300000 98.000000 1 417.300000 66.000000 1 418.300000 30.000000 1 419.300000 34.000000 1 420.300000 30.000000 1 421.300000 54.000000 1 422.300000 22.000000 1 423.300000 71.000000 1 424.300000 31.000000 1 425.300000 13.000000 1 426.300000 42.000000 1 427.300000 52.000000 1 428.300000 119.000000 1 429.300000 97.000000 1 430.300000 54.000000 1 431.300000 22.000000 1 432.300000 108.000000 1 434.300000 90.000000 1 436.300000 68.000000 1 437.300000 118.000000 1 438.300000 71.000000 1 439.300000 16.000000 1 440.300000 111.000000 1 441.300000 47.000000 1 443.300000 14.000000 1 444.300000 106.000000 1 446.300000 71.000000 1 447.300000 60.000000 1 448.300000 19.000000 1 449.300000 172.000000 1 450.300000 132.000000 1 451.300000 62.000000 1 452.300000 16.000000 1 455.300000 116.000000 1 456.300000 42.000000 1 457.300000 50.000000 1 458.300000 70.000000 1 459.300000 97.000000 1 460.300000 50.000000 1 461.300000 73.000000 1 462.300000 5.000000 1 463.300000 119.000000 1 464.300000 58.000000 1 465.300000 36.000000 1 467.300000 63.000000 1 469.300000 55.000000 1 470.300000 42.000000 1 472.300000 8.000000 1 473.300000 86.000000 1 474.300000 27.000000 1 477.300000 63.000000 1 478.300000 47.000000 1 479.300000 63.000000 1 482.300000 11.000000 1 483.300000 143.000000 1 484.300000 74.000000 1 485.300000 18.000000 1 486.300000 36.000000 1 489.300000 34.000000 1 491.300000 164.000000 1 492.300000 24.000000 1 493.300000 70.000000 1 494.300000 70.000000 1 497.300000 30.000000 1 498.300000 73.000000 1 //