ACCESSION: MSBNK-Kyoto_Univ-CA000115
RECORD_TITLE: Zeaxanthin; EI-EBEB; MS; POS
DATE: 2016.01.19 (Created 2007.10.06, modified 2011.05.10)
AUTHORS: Akimoto N, Graduate School of Pharmaceutical Sciences, Kyoto University and Maoka T, Research Institute for Production Development
LICENSE: CC BY-SA
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] CA000115.jpg

CH$NAME: Zeaxanthin
CH$COMPOUND_CLASS: Natural Product; Carotenoid
CH$FORMULA: C₄₀H₅₆O₂
CH$EXACT_MASS: 568.42803
CH$SMILES: C(=CC=C(C=CC=C(C)C=CC(=C(C)2)C(C)(C)CC(C2)O)C)C=C(C=CC=C(C)C=CC(=C(C)1)C(C)(C)CC(C1)O)C
CH$IUPAC: InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1
CH$LINK: CHEBI 27547
CH$LINK: CHEMSPIDER 4444421
CH$LINK: KEGG C06098
CH$LINK: PUBCHEM CID:5280899
CH$LINK: INCHIKEY JKQXZKUSFCKOGQ-QAYBQHTQSA-N
CH$LINK: COMPTOX DTXSID5046807

AC$INSTRUMENT: JMS-HX/HX 110A, JEOL
AC$INSTRUMENT_TYPE: EI-EBEB
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION EI
AC$MASS_SPECTROMETRY: PROBE_TIP stainless-steel

MS$FOCUSED_ION: BASE_PEAK 568.0000

PK$SPLASH: splash10-014i-1720190000-204ad0a05a0abe539ed6
PK$NUM_PEAK: 131
PK$PEAK: m/z int. rel.int.
  41.0000 1.08 14
  43.0000 1.09 14
  44.0000 0.74 9
  55.0000 1.33 17
  57.0000 1.21 16
  67.0000 0.93 12
  69.0000 1.24 16
  77.0000 0.86 11
  79.0000 1.24 16
  81.0000 1.84 24
  83.0000 0.75 10
  85.0000 0.79 10
  91.0000 3.23 41
  92.0000 1.01 13
  93.0000 2.21 28
  95.0000 1.87 24
  105.0000 3.90 50
  106.0000 1.08 14
  107.0000 2.78 36
  109.0000 1.77 23
  115.0000 0.73 9
  117.0000 1.17 15
  119.0000 5.33 68
  120.0000 1.44 18
  121.0000 2.86 37
  123.0000 0.96 12
  128.0000 0.97 12
  129.0000 1.60 21
  130.0000 0.91 12
  131.0000 2.55 33
  132.0000 0.88 11
  133.0000 3.41 44
  134.0000 0.83 11
  135.0000 2.20 28
  137.0000 0.73 9
  141.0000 0.99 13
  142.0000 1.35 17
  143.0000 2.85 37
  144.0000 1.32 17
  145.0000 4.43 57
  146.0000 1.13 14
  147.0000 2.21 28
  149.0000 1.35 17
  155.0000 1.43 18
  156.0000 1.61 21
  157.0000 4.12 53
  158.0000 1.54 20
  159.0000 3.06 39
  160.0000 0.95 12
  161.0000 1.20 15
  163.0000 0.68 9
  165.0000 0.77 10
  167.0000 1.07 14
  168.0000 0.72 9
  169.0000 2.01 26
  170.0000 1.16 15
  171.0000 2.97 38
  172.0000 1.06 14
  173.0000 2.85 37
  174.0000 0.67 9
  175.0000 2.67 34
  179.0000 1.08 14
  180.0000 0.78 10
  181.0000 1.51 19
  182.0000 0.94 12
  183.0000 2.74 35
  184.0000 1.10 14
  185.0000 1.96 25
  186.0000 0.66 8
  187.0000 1.55 20
  189.0000 0.64 8
  191.0000 0.65 8
  192.0000 0.64 8
  193.0000 1.44 18
  194.0000 0.96 12
  195.0000 2.22 28
  196.0000 1.16 15
  197.0000 2.75 35
  198.0000 0.96 12
  199.0000 1.31 17
  201.0000 1.17 15
  203.0000 0.65 8
  207.0000 1.44 18
  208.0000 0.93 12
  209.0000 3.54 45
  210.0000 1.15 15
  211.0000 1.56 20
  213.0000 0.70 9
  217.0000 1.06 14
  219.0000 0.95 12
  221.0000 1.35 17
  222.0000 0.81 10
  223.0000 1.49 19
  224.0000 0.64 8
  225.0000 1.01 13
  233.0000 0.82 11
  235.0000 1.24 16
  237.0000 1.07 14
  239.0000 0.78 10
  247.0000 0.94 12
  249.0000 0.96 12
  251.0000 0.68 9
  255.0000 0.64 8
  257.0000 0.63 8
  259.0000 0.75 10
  261.0000 0.85 11
  263.0000 0.71 9
  265.0000 0.66 8
  275.0000 0.84 11
  283.0000 0.84 11
  284.0000 1.95 25
  297.0000 0.64 8
  349.0000 0.70 9
  362.0000 0.68 9
  375.0000 0.68 9
  399.0000 0.80 10
  410.0000 1.60 21
  415.0000 0.79 10
  462.0000 2.24 29
  463.0000 0.95 12
  476.0000 12.11 155
  477.0000 4.52 58
  478.0000 0.97 12
  489.0000 0.68 9
  550.0000 2.02 26
  551.0000 1.06 14
  566.0000 2.56 33
  568.0000 77.96 999
  569.0000 34.44 441
  570.0000 8.26 106
  571.0000 1.54 20
//