ACCESSION: MSBNK-Keio_Univ-KO009196
RECORD_TITLE: Psychosine; LC-ESI-IT; MS3; m/z: 462/444; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P067
COMMENT: [MS2] KO009195

CH$NAME: Psychosine
CH$NAME: O-Galactosylsphingosine
CH$NAME: Galactosylsphingosine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₄₇NO₇
CH$EXACT_MASS: 461.33525
CH$SMILES: CCCCCCCCCCCCCC=C[C@@H](O)[C@@H](N)CO[C@H](O1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)1
CH$IUPAC: InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1
CH$LINK: CAS 2238-90-6
CH$LINK: CHEBI 16874
CH$LINK: KEGG C01747
CH$LINK: NIKKAJI J39.570F
CH$LINK: PUBCHEM SID:4881
CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60/0.80

MS$FOCUSED_ION: PRECURSOR_M/Z 462/444
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-01q9-0090000000-33695d13e68d72ae1194
PK$NUM_PEAK: 183
PK$PEAK: m/z int. rel.int.
  122.0 77.50 1
  123.0 428.10 1
  124.9 174.63 1
  127.0 71.97 1
  128.1 178.13 1
  129.9 537.36 1
  131.1 595.61 1
  132.0 116.01 1
  133.1 482.98 1
  134.1 564.81 1
  135.1 4736.60 5
  137.2 76.84 1
  138.1 108.67 1
  139.0 104.00 1
  141.1 111.42 1
  144.2 942.54 1
  145.3 849.97 1
  146.1 144.84 1
  147.0 356.52 1
  148.1 1273.89 1
  149.1 1982.64 2
  150.2 187.64 1
  151.2 792.07 1
  151.9 575.37 1
  154.1 269.64 1
  156.2 284.51 1
  156.9 119.28 1
  159.0 352.18 1
  160.1 1810.86 2
  161.1 1339.30 1
  162.0 156.35 1
  163.1 951.11 1
  165.1 1043.29 1
  168.0 1315.37 1
  172.1 311.92 1
  173.1 1458.26 1
  175.0 274.55 1
  176.2 271.44 1
  177.1 659.16 1
  179.1 546.87 1
  179.8 134.89 1
  182.1 92.84 1
  184.1 562.43 1
  185.1 476.82 1
  185.9 512.64 1
  187.1 634.91 1
  189.0 558.64 1
  190.1 113.42 1
  191.2 841.81 1
  194.1 57.54 1
  196.1 2248.13 2
  197.2 245.37 1
  198.0 196.06 1
  200.0 101.79 1
  202.2 599.94 1
  203.1 468.27 1
  204.1 164.09 1
  205.2 1298.71 1
  207.1 381.91 1
  211.3 1694.45 2
  212.2 1339.55 1
  214.1 238.60 1
  216.1 50.13 1
  218.1 823.72 1
  219.1 111.42 1
  220.3 241.72 1
  221.1 538.32 1
  224.2 73.71 1
  226.1 1266.96 1
  236.2 544.15 1
  239.1 267.31 1
  240.1 232.18 1
  245.3 295.35 1
  247.2 3016.42 3
  249.2 653.20 1
  250.2 441.38 1
  251.2 977.28 1
  252.3 8820.75 8
  254.3 393.33 1
  259.2 1253.58 1
  262.3 1334.75 1
  263.1 828.95 1
  264.3 542580.66 522
  265.2 4657.32 4
  266.3 8699.54 8
  271.2 179.47 1
  273.4 265.51 1
  274.3 967.65 1
  276.3 15760.27 15
  277.3 1081.17 1
  278.3 927.12 1
  279.2 110.41 1
  280.3 948.45 1
  281.2 226.21 1
  282.3 1039141.32 999
  283.3 2115.01 2
  285.5 163.01 1
  288.3 2022.59 2
  289.3 4268.10 4
  291.4 1412.36 1
  292.2 3422.41 3
  293.4 494.87 1
  294.3 9045.65 9
  296.3 711.71 1
  299.4 63.13 1
  300.5 1064.63 1
  301.3 1892.85 2
  302.2 441.33 1
  303.3 2797.31 3
  304.3 1087.60 1
  305.4 198.45 1
  306.3 6461.41 6
  307.4 421.55 1
  310.4 752.69 1
  311.2 735.05 1
  312.4 525.27 1
  315.4 517.55 1
  316.4 178.80 1
  317.3 826.91 1
  318.3 3204.52 3
  319.4 476.77 1
  320.3 757.08 1
  321.2 228.84 1
  322.4 1624.17 2
  323.4 924.78 1
  324.4 5492.29 5
  326.5 979.83 1
  330.2 3130.83 3
  331.4 2106.67 2
  332.6 423.03 1
  334.2 86.38 1
  335.2 385.48 1
  336.2 1799.00 2
  337.3 148.51 1
  342.2 926.56 1
  343.3 859.38 1
  344.4 1411.09 1
  345.2 552.79 1
  348.3 2512.19 2
  349.4 253.45 1
  350.4 597.41 1
  351.3 167.67 1
  352.2 208.24 1
  354.2 1615.19 2
  355.3 395.93 1
  360.3 4813.56 5
  361.2 879.91 1
  362.2 319.28 1
  363.2 160.55 1
  366.2 966.31 1
  367.3 339.63 1
  368.3 481.65 1
  372.3 3039.62 3
  373.4 571.97 1
  376.1 870.02 1
  378.2 2307.00 2
  379.2 514.39 1
  380.3 310.49 1
  382.1 699.70 1
  384.1 300.89 1
  390.3 6894.52 7
  391.2 841.42 1
  392.1 330.97 1
  394.1 287.14 1
  396.4 410.43 1
  408.3 21605.65 21
  409.3 1989.03 2
  414.3 1698.15 2
  416.2 245.46 1
  422.0 63.84 1
  425.3 431.64 1
  426.3 55039.61 53
  427.1 4149.68 4
  433.3 1126.56 1
  444.3 2634.18 3
  448.5 205.80 1
  450.0 236.76 1
  467.1 442.77 1
  476.1 484.00 1
  494.1 124.55 1
  494.9 114.55 1
  505.9 128.32 1
  508.6 280.26 1
//