MassBank Record: CA000116



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

ACCESSION: CA000116
RECORD_TITLE: alpha-Carotene; EI-EBEB; MS; POS
DATE: 2016.01.19 (2007.10.06, 2011.05.10)
AUTHORS: Akimoto NGraduate School of Pharmaceutical Sciences, Kyoto University and Maoka T, Research Institute for Production Development, 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] CA000116.jpg

CH$NAME: alpah-Carotene CH$NAME: alpha-Carotene CH$COMPOUND_CLASS: Natural Product; Carotenoid CH$FORMULA: C40H56 CH$EXACT_MASS: 536.43820 CH$SMILES: C(=CC(=C(C)2)C(C)(C)CCC2)C(C)=CC=CC(=CC=CC=C(C=CC=C(C)C=CC(C1(C)C)C(C)=CCC1)C)C CH$IUPAC: InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ CH$LINK: CHEBI 28425 CH$LINK: KEGG C05433 CH$LINK: LIPIDMAPS LMPR01070011 LMPR01070258 CH$LINK: PUBCHEM 7797 CH$LINK: INCHIKEY ANVAOWXLWRTKGA-JLTXGRSLSA-N CH$LINK: COMPTOX DTXSID00893712
AC$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 536.0000
PK$SPLASH: splash10-000i-2930180000-d48b96766c6ba0f20cdc PK$NUM_PEAK: 231 PK$PEAK: m/z int. rel.int. 28.0000 0.58 6 29.0000 0.51 5 39.0000 0.31 3 41.0000 1.86 19 42.0000 0.34 3 43.0000 1.45 15 53.0000 0.42 4 55.0000 2.83 29 56.0000 0.74 8 57.0000 1.57 16 67.0000 1.09 11 69.0000 4.43 45 70.0000 0.32 3 77.0000 1.07 11 79.0000 1.86 19 80.0000 0.47 5 81.0000 4.16 42 82.0000 0.38 4 83.0000 1.19 12 86.0000 0.32 3 91.0000 3.66 37 92.0000 0.91 9 93.0000 4.10 42 94.0000 0.61 6 95.0000 4.17 42 96.0000 0.41 4 97.0000 0.39 4 103.0000 0.40 4 105.0000 6.96 71 106.0000 1.37 14 107.0000 4.68 48 108.0000 0.77 8 109.0000 2.21 23 111.0000 0.44 4 115.0000 0.85 9 116.0000 0.54 6 117.0000 1.89 19 118.0000 0.64 7 119.0000 8.67 88 120.0000 1.91 19 121.0000 4.45 45 122.0000 1.31 13 123.0000 6.03 61 124.0000 0.66 7 127.0000 0.34 3 128.0000 1.27 13 129.0000 2.26 23 130.0000 1.36 14 131.0000 3.48 35 132.0000 1.99 20 133.0000 5.54 56 134.0000 1.08 11 135.0000 1.21 12 137.0000 1.48 15 139.0000 0.38 4 141.0000 1.17 12 142.0000 1.72 18 143.0000 4.45 45 144.0000 1.95 20 145.0000 8.59 88 146.0000 1.97 20 147.0000 3.06 31 148.0000 0.60 6 149.0000 0.71 7 151.0000 0.31 3 152.0000 0.40 4 153.0000 0.75 8 154.0000 0.52 5 155.0000 2.08 21 156.0000 2.08 21 157.0000 5.67 58 158.0000 2.07 21 159.0000 4.23 43 160.0000 0.98 10 161.0000 1.63 17 162.0000 0.34 3 163.0000 0.37 4 165.0000 1.09 11 166.0000 0.95 10 167.0000 1.27 13 168.0000 0.85 9 169.0000 3.03 31 170.0000 1.46 15 171.0000 3.97 40 172.0000 1.69 17 173.0000 2.16 22 174.0000 0.76 8 175.0000 1.83 19 176.0000 0.47 5 177.0000 2.21 23 178.0000 0.56 6 179.0000 1.53 16 180.0000 0.83 8 181.0000 1.89 19 182.0000 1.19 12 183.0000 3.57 36 184.0000 1.24 13 185.0000 2.72 28 186.0000 0.86 9 187.0000 1.37 14 188.0000 0.52 5 189.0000 1.05 11 190.0000 0.36 4 191.0000 0.41 4 192.0000 0.61 6 193.0000 1.31 13 194.0000 1.15 12 195.0000 2.88 29 196.0000 1.41 14 197.0000 4.38 45 198.0000 1.53 16 199.0000 1.83 19 200.0000 0.78 8 201.0000 1.03 10 202.0000 0.38 4 203.0000 1.63 17 204.0000 0.39 4 205.0000 0.64 7 206.0000 0.61 6 207.0000 3.83 39 208.0000 1.07 11 209.0000 4.43 45 210.0000 1.33 14 211.0000 2.90 30 212.0000 0.90 9 213.0000 0.98 10 214.0000 0.45 5 215.0000 0.59 6 217.0000 0.34 3 218.0000 0.30 3 219.0000 0.61 6 220.0000 0.52 5 221.0000 1.42 14 222.0000 0.80 8 223.0000 2.31 24 224.0000 0.86 9 225.0000 1.09 11 226.0000 0.54 6 227.0000 0.55 6 229.0000 0.32 3 231.0000 0.37 4 232.0000 0.35 4 233.0000 0.76 8 234.0000 0.44 4 235.0000 1.27 13 236.0000 0.50 5 237.0000 1.15 12 238.0000 0.43 4 239.0000 0.92 9 240.0000 1.88 19 241.0000 0.94 10 242.0000 0.33 3 243.0000 1.02 10 245.0000 0.35 4 247.0000 0.62 6 248.0000 0.32 3 249.0000 0.78 8 250.0000 0.34 3 251.0000 0.71 7 252.0000 0.33 3 253.0000 0.63 6 254.0000 0.56 6 255.0000 0.78 8 256.0000 0.42 4 259.0000 0.30 3 261.0000 0.66 7 262.0000 0.31 3 263.0000 0.76 8 264.0000 0.36 4 265.0000 0.70 7 266.0000 0.45 5 267.0000 1.54 16 268.0000 2.41 25 269.0000 1.02 10 275.0000 0.65 7 276.0000 0.32 3 277.0000 0.63 6 278.0000 0.29 3 279.0000 0.47 5 280.0000 0.43 4 281.0000 0.91 9 282.0000 0.54 6 289.0000 0.36 4 290.0000 0.48 5 291.0000 0.43 4 293.0000 0.57 6 294.0000 0.30 3 295.0000 0.36 4 303.0000 0.32 3 305.0000 0.37 4 307.0000 0.49 5 319.0000 0.35 4 320.0000 0.35 4 321.0000 0.90 9 322.0000 0.81 8 331.0000 0.47 5 333.0000 1.14 12 334.0000 0.50 5 335.0000 0.41 4 345.0000 0.36 4 346.0000 0.62 6 347.0000 0.38 4 348.0000 0.39 4 359.0000 0.69 7 368.0000 0.91 9 378.0000 0.99 10 379.0000 0.35 4 388.0000 2.30 23 389.0000 0.82 8 390.0000 0.36 4 391.0000 0.33 3 399.0000 0.36 4 413.0000 0.66 7 414.0000 0.51 5 429.0000 0.33 3 430.0000 0.90 9 431.0000 0.39 4 444.0000 9.31 95 445.0000 3.50 36 446.0000 0.65 7 447.0000 0.91 9 456.0000 0.34 3 457.0000 0.53 5 458.0000 0.33 3 480.0000 0.73 7 481.0000 0.31 3 521.0000 0.31 3 536.0000 98.03 999 537.0000 44.07 449 538.0000 10.26 105 539.0000 1.73 18 //

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