MassBank Record: UO000001

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2,3-di-O-Phytanyl-sn-glycerol-1-phosphoserine; EI-B; MS
Mass Spectrum
Chemical Structure
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ACCESSION: UO000001
RECORD_TITLE: 2,3-di-O-Phytanyl-sn-glycerol-1-phosphoserine; EI-B; MS
DATE: 2016.01.19 (2009.05.29, 2011.05.06)
AUTHORS: Hiroyuki Morii, Department of Chemistry, University of Occupational and Environmental Health
LICENSE: CC BY-SA
PUBLICATION: Morii, H., Nishihara, M., Ohga, M., and Koga, Y. 1986. A diphytanyl ether analog of phosphatidylserine from a methanogenic bacterium, Methanobrevibacter arboriphilus. J Lipid Res. 27: 724-730.
COMMENT: [Analytical] Ionizing Curr 300 uA, Chamber Temp 250 C, Accel Volt 3KV, Ion Multi 1.0 KV,

CH$NAME: 2,3-di-O-Phytanyl-sn-glycerol-1-phosphoserine CH$NAME: archaetidylserine CH$COMPOUND_CLASS: Glycerophospholipids; Glycerophosphoserines; Dialkylglycerophosphoserines CH$FORMULA: C46H94NO8P CH$EXACT_MASS: 819.67171 CH$SMILES: C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCOC[C@H](COP(=O)(O)OC[C@H](C(=O)O)N)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C CH$IUPAC: InChI=1S/C46H94NO8P/c1-36(2)17-11-19-38(5)21-13-23-40(7)25-15-27-42(9)29-31-52-33-44(34-54-56(50,51)55-35-45(47)46(48)49)53-32-30-43(10)28-16-26-41(8)24-14-22-39(6)20-12-18-37(3)4/h36-45H,11-35,47H2,1-10H3,(H,48,49)(H,50,51)/t38-,39-,40-,41-,42-,43-,44-,45-/m1/s1 CH$LINK: CAS 105662-26-8 CH$LINK: LIPIDBANK EEL3026 CH$LINK: INCHIKEY REWAKYJADCBFMU-UFSSTKFDSA-N CH$LINK: PUBCHEM CID:134763479
AC$INSTRUMENT: JMS DX-300/JMS-3500 data system, Japan Electron Optics Laboratory, Japan AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_POTENTIAL 30 eV AC$MASS_SPECTROMETRY: SCANNING 5 Sec AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 320 C
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00ei-9300002000-bea7bd91a75587c793d1 PK$NUM_PEAK: 54 PK$PEAK: m/z int. rel.int. 28.0 38.208 49 32.0 32.349 42 41.0 70.618 91 42.0 40.115 52 43.0 155.718 201 44.0 105.210 136 55.0 171.709 222 56.0 209.201 270 57.0 521.370 674 58.0 44.541 58 68.0 52.384 68 69.0 370.305 479 70.0 357.427 462 71.0 508.491 657 72.0 32.242 42 74.0 341.390 441 81.0 80.140 104 82.0 56.839 73 83.0 319.752 413 84.0 163.408 211 85.0 362.081 468 95.0 58.045 75 96.0 106.141 137 97.0 289.051 374 98.0 90.730 117 99.0 161.272 208 110.0 36.530 47 111.0 274.738 355 112.0 113.252 146 113.0 154.909 200 123.0 91.538 118 124.0 83.817 108 125.0 319.508 413 126.0 287.907 372 127.0 141.420 183 139.0 45.441 59 140.0 180.376 233 141.0 83.436 108 154.0 32.257 42 155.0 52.964 68 182.0 40.482 52 183.0 44.037 57 196.0 81.071 105 197.0 34.927 45 210.0 31.464 41 252.0 31.891 41 278.0 36.240 47 280.0 74.708 97 323.0 47.714 62 354.0 100.709 130 355.0 31.448 41 634.0 772.991 999 635.0 370.443 479 636.0 93.675 121 //