ACCESSION: MSBNK-UOEH-UO000024
RECORD_TITLE: 2,6,10,14,18-Pentamethylicosane; EI-B; MS
DATE: 2016.01.19 (Created 2009.06.19, modified 2011.05.06)
AUTHORS: Hiroyuki Morii, Department of Environmental Management, and Chemistry, University of Occupational and Environmental Health
LICENSE: CC BY-SA
PUBLICATION: Morii, H., Yagi, H., Akutsu, H., Nomura, N., Sako, Y., and Koga, Y. 1999 A novel phosphoglycolipid archaetidyl(glucosyl)inositol with two sesterterpanyl chains from the aerobic hyperthermophilic archaeon Aeropyrum pernix K1 Biochim Biophys Acta. 1436 : 426-436
COMMENT: [Analytical] CHCL3 solution

CH$NAME: 2,6,10,14,18-Pentamethylicosane
CH$COMPOUND_CLASS: Hydrocarbon
CH$FORMULA: C₂₅H₅₂
CH$EXACT_MASS: 352.40690
CH$SMILES: CCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C
CH$IUPAC: InChI=1S/C25H52/c1-8-22(4)14-10-16-24(6)18-12-20-25(7)19-11-17-23(5)15-9-13-21(2)3/h21-25H,8-20H2,1-7H3
CH$LINK: CAS 51794-16-2
CH$LINK: NIKKAJI J100.980J
CH$LINK: INCHIKEY SJBLBJCIOBWHAC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:521349

AC$INSTRUMENT: JEOL AX-505HA
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0abj-9510000000-6010401e1b1b0a558a82
PK$NUM_PEAK: 102
PK$PEAK: m/z int. rel.int.
  32.0 44 44
  35.7 22 22
  37.7 7 7
  38.9 13 13
  40.2 4 4
  41.2 175 175
  42.0 42 42
  43.0 483 483
  43.6 16 16
  52.9 6 6
  53.8 6 6
  55.3 242 242
  56.3 216 216
  57.0 999 999
  58.0 59 59
  67.0 19 19
  68.0 19 19
  69.2 198 198
  70.4 204 204
  72.0 949 949
  73.0 66 66
  81.2 15 15
  82.3 12 12
  83.3 109 109
  84.2 104 104
  86.0 677 677
  86.5 52 52
  95.0 13 13
  96.2 79 79
  97.4 182 182
  98.1 69 69
  99.8 353 353
  100.0 29 29
  109.1 5 5
  110.1 13 13
  111.3 79 79
  112.4 208 208
  113.8 416 416
  114.0 40 40
  124.1 9 9
  125.3 66 66
  126.6 225 225
  127.0 431 431
  128.0 48 48
  138.2 1 1
  139.2 17 17
  140.1 58 58
  141.3 241 241
  142.0 27 27
  153.1 5 5
  154.3 56 56
  155.5 201 201
  156.2 25 25
  167.1 22 22
  168.3 48 48
  169.6 176 176
  170.2 24 24
  181.1 8 8
  182.4 170 170
  183.5 317 317
  184.0 50 50
  195.0 4 4
  196.4 162 162
  197.0 311 311
  198.3 50 50
  199.0 4 4
  210.3 14 14
  211.4 62 62
  212.0 10 10
  224.1 48 48
  225.2 81 81
  225.8 14 14
  238.2 46 46
  239.3 70 70
  240.0 13 13
  252.5 116 116
  253.3 185 185
  254.5 37 37
  255.1 3 3
  266.5 97 97
  267.0 171 171
  268.0 34 34
  269.0 3 3
  280.2 15 15
  281.1 21 21
  282.0 4 4
  294.1 9 9
  295.2 20 20
  296.3 4 4
  308.0 9 9
  309.3 16 16
  310.1 2 2
  322.5 27 27
  323.0 62 62
  324.4 15 15
  336.1 9 9
  337.2 57 57
  337.8 14 14
  350.4 1 1
  352.4 140 140
  353.2 39 39
  353.8 5 5
//