MassBank Record: CA000115



 Zeaxanthin; EI-EBEB; MS; POS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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 5280899
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 //