MassBank Record: CA000037



 Cryptocapsin; FAB-EBEB; MS2; m/z: 568.43; [M]+* 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CA000037
RECORD_TITLE: Cryptocapsin; FAB-EBEB; MS2; m/z: 568.43; [M]+*
DATE: 2016.01.19 (Created 2010.04.01, 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
PUBLICATION: Akimoto, N.; Takashi, M.; Fujiwara, Y.; Hashimoto, K.; Analysis of carotenoids by FAB CID-MS2 (in Japanese). J. Mass Spectrom. Soc. Jpn. 2000, 48, 32-41.
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] CA000037.jpg

CH$NAME: Cryptocapsin CH$COMPOUND_CLASS: N/A CH$FORMULA: C40H56O2 CH$EXACT_MASS: 568.42803 CH$SMILES: C(=CC(=C(C)2)C(C)(C)CCC2)C(C)=CC=CC(=CC=CC=C(C=CC=C(C=CC(=O)C(C(C)(C)1)(C)CC(C1)O)C)C)C CH$IUPAC: InChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-27-38(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-26-37(42)40(10)29-35(41)28-39(40,8)9/h11-14,16-21,23-26,35,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t35-,40-/m0/s1 CH$LINK: CAS 7044-42-0 CH$LINK: LIPIDBANK VCA0047 CH$LINK: NIKKAJI J15.385K
AC$INSTRUMENT: JMS-HX/HX 110A, JEOL AC$INSTRUMENT_TYPE: FAB-EBEB AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: ATOM_GUN_CURRENT 5 mA AC$MASS_SPECTROMETRY: BOMBARDMENT 6 kV xenon AC$MASS_SPECTROMETRY: COLLISION_ENERGY 3 kV AC$MASS_SPECTROMETRY: COLLISION_GAS Ar AC$MASS_SPECTROMETRY: GAS_PRESSURE adjust to attenuate the intensity of the precursor ion by 30 % AC$MASS_SPECTROMETRY: IONIZATION FAB AC$MASS_SPECTROMETRY: MATRIX 1-2 uL m-NBA AC$MASS_SPECTROMETRY: PROBE_TIP stainless-steel
MS$FOCUSED_ION: BASE_PEAK 109.1140 MS$FOCUSED_ION: PRECURSOR_M/Z 568.43 MS$FOCUSED_ION: PRECURSOR_TYPE [M]+* MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=109.1140). set 999 for peak(m/z=568.4383,rel=2665).
PK$SPLASH: splash10-066r-2920020000-8e3a1df48bf4e8fa1c06 PK$NUM_PEAK: 710 PK$PEAK: m/z int. rel.int. 1.2503 0.01 0 4.7484 0.01 0 11.4149 0.01 0 14.0151 0.02 1 15.0230 0.08 2 15.5761 0.01 0 18.9961 0.01 0 23.7223 0.01 0 25.0318 0.01 0 26.0226 0.14 4 27.0276 1.20 32 27.6444 0.04 1 28.0402 0.17 5 29.0404 1.36 36 31.0279 0.10 3 32.7297 0.01 0 36.7744 0.01 0 37.0290 0.06 2 38.0034 0.23 6 39.0362 2.86 76 40.0357 0.35 9 41.0498 8.38 223 42.0572 0.17 5 43.0480 6.98 186 44.0364 0.08 2 44.6540 0.01 0 45.0457 0.08 2 47.0103 0.02 1 47.9753 0.01 0 49.0275 0.02 1 49.4007 0.02 1 50.0234 0.53 14 50.5796 0.01 0 51.0319 1.70 45 51.4741 0.01 0 52.0327 0.60 16 53.0437 4.23 113 53.4819 0.01 0 54.0545 0.26 7 54.6311 0.06 2 55.0582 13.33 355 56.0728 0.26 7 56.5499 0.02 1 57.0753 2.51 67 58.0653 0.04 1 59.0728 0.33 9 60.2107 0.04 1 61.0595 0.06 2 62.0295 0.35 9 62.3501 0.01 0 63.0410 1.14 30 64.0437 0.36 10 64.3102 0.03 1 65.0482 2.78 74 65.6418 0.01 0 66.0614 0.69 18 66.5104 0.01 0 67.0643 5.74 153 67.5894 0.01 0 68.0638 0.25 7 68.5029 0.01 0 69.0705 18.77 500 69.5656 0.03 1 70.0579 0.14 4 71.0585 2.78 74 71.6070 0.01 0 72.1138 0.01 0 73.0627 0.08 2 73.7214 0.02 1 74.0317 0.23 6 74.5426 0.02 1 75.0715 0.58 15 75.6494 0.10 3 76.0369 0.33 9 77.0510 9.23 246 77.6771 0.12 3 78.0571 1.41 38 79.0611 9.22 246 79.6959 0.06 2 80.0619 0.95 25 81.0767 10.94 292 82.0593 0.48 13 83.0911 32.62 869 84.0992 0.25 7 84.6302 0.02 1 85.1050 5.45 145 86.0599 0.17 5 86.6368 0.05 1 87.0631 0.26 7 88.0100 0.15 4 89.0486 0.81 22 89.2609 0.20 5 90.0872 0.44 12 91.0769 20.83 555 92.0805 2.02 54 93.0915 13.10 349 94.0965 0.57 15 95.1017 11.41 304 96.0921 0.36 10 97.0989 1.95 52 97.6518 0.01 0 98.0751 0.15 4 99.0716 1.20 32 99.6046 0.01 0 100.0295 0.05 1 100.5373 0.03 1 101.0495 0.32 9 101.4481 0.06 2 101.7131 0.07 2 102.0754 1.05 28 103.0796 3.92 104 104.0817 1.82 49 105.0949 28.98 772 106.1033 2.25 60 107.1032 12.30 328 107.6721 0.07 2 108.1024 1.19 32 109.1140 37.48 999 110.0767 0.34 9 111.0836 1.58 42 111.5990 0.01 0 112.0668 0.17 5 113.0555 0.40 11 113.6207 0.12 3 114.0605 0.34 9 115.0617 10.58 282 116.0685 4.34 116 117.0727 12.68 338 117.5821 0.08 2 118.0744 2.34 62 119.0869 28.48 759 120.0956 2.50 67 121.0853 12.55 335 122.0738 1.14 30 123.0961 4.59 122 124.0424 0.20 5 125.0891 9.42 251 126.0543 0.48 13 127.0779 7.97 212 128.0564 12.83 342 129.0593 16.40 437 130.0662 6.69 178 131.0703 17.52 467 132.0755 3.72 99 133.0833 14.03 374 134.0937 1.04 28 135.0654 4.22 112 135.5527 0.05 1 136.0473 0.36 10 137.0827 1.87 50 137.7051 0.03 1 138.0600 0.19 5 138.3334 0.05 1 139.0534 1.35 36 140.0909 0.80 21 141.0574 11.32 302 142.0706 10.71 285 143.0766 19.40 517 144.0836 6.32 168 145.0847 23.68 631 146.0840 2.32 62 147.0982 8.04 214 148.0924 0.57 15 149.1267 1.34 36 149.5387 0.09 2 150.0530 0.42 11 151.0891 1.67 45 152.0857 4.03 107 153.0887 6.35 169 154.0941 3.74 100 155.1003 13.33 355 156.1060 7.92 211 157.1168 19.89 530 158.1102 4.09 109 159.1142 25.83 688 160.1473 1.64 44 161.1431 6.24 166 162.1411 0.31 8 163.1188 1.07 29 164.0943 0.49 13 165.1188 10.79 288 166.1242 3.81 102 167.1275 8.59 229 168.1355 3.53 94 169.1424 12.20 325 170.1458 4.28 114 171.1485 10.99 293 172.1490 2.00 53 173.1545 7.05 188 173.6994 0.14 4 174.1664 0.69 18 175.1762 4.45 119 176.1298 0.91 24 176.5692 0.11 3 177.1694 3.17 84 178.1115 5.58 149 179.1125 8.55 228 180.1128 3.67 98 181.1165 10.30 275 182.1381 4.71 126 183.1274 11.83 315 184.1260 2.64 70 185.1308 7.45 199 186.1492 1.33 35 187.1582 3.99 106 188.1520 0.63 17 189.1249 3.05 81 190.0668 1.17 31 191.1096 4.28 114 192.1187 3.31 88 193.1096 8.69 232 194.1226 3.98 106 195.1204 12.13 323 196.1259 3.46 92 197.1248 9.31 248 198.1241 1.83 49 199.1298 4.25 113 200.1447 0.79 21 201.1616 3.12 83 202.1024 2.27 61 203.1203 4.03 107 204.1127 1.10 29 204.5361 0.13 3 205.1171 3.98 106 206.1221 2.91 78 207.1246 6.65 177 208.1218 3.03 81 209.1297 9.62 256 210.1467 2.24 60 211.1468 5.04 134 212.1416 1.01 27 213.1774 2.13 57 213.7115 0.19 5 214.1949 0.50 13 215.1228 2.53 67 216.1252 1.16 31 217.1280 2.35 63 218.1691 1.48 39 219.1466 4.22 112 220.1624 2.06 55 220.6573 1.31 35 221.1582 8.46 225 222.1632 1.91 51 223.1730 4.99 133 224.1526 0.89 24 224.4879 0.10 3 225.1938 2.84 76 226.1742 0.60 16 226.6003 0.10 3 227.1988 1.86 50 228.1756 1.03 27 228.5889 0.13 3 229.1604 1.90 51 230.1653 1.20 32 230.5504 0.10 3 231.1588 2.45 65 232.1645 1.51 40 233.1851 3.90 104 234.1740 1.30 35 235.1881 3.89 104 236.1733 0.99 26 236.5886 0.13 3 237.1984 3.33 89 238.2063 0.73 19 239.1999 2.76 74 240.1954 0.48 13 241.1985 1.44 38 242.1976 0.78 21 243.2029 2.22 59 244.1572 0.75 20 245.1866 1.99 53 246.2105 1.12 30 247.1834 3.05 81 247.6061 0.09 2 248.1742 1.04 28 249.2036 2.51 67 250.1891 0.74 20 250.6769 0.16 4 251.2118 2.27 61 252.2333 0.89 24 253.2434 2.17 58 254.2435 0.80 21 255.2379 1.22 33 256.2193 0.72 19 257.1775 1.41 38 258.2021 0.62 17 259.2271 1.80 48 260.2318 0.80 21 260.5878 0.22 6 261.2132 2.33 62 261.6635 0.05 1 262.2067 0.63 17 262.5791 0.04 1 263.2314 2.13 57 264.2387 0.56 15 265.2050 1.93 51 266.2527 0.72 19 267.2285 2.09 56 268.2414 0.82 22 269.2560 1.66 44 269.6735 0.09 2 270.2518 0.38 10 271.1991 1.12 30 272.2012 0.47 13 273.2219 1.48 39 274.2104 0.45 12 275.2286 1.59 42 276.1970 0.55 15 276.6856 0.09 2 277.2394 1.29 34 278.2451 0.41 11 278.6513 0.04 1 279.2600 1.19 32 280.2560 0.58 15 281.2388 1.38 37 282.2352 0.31 8 282.5827 0.05 1 283.2216 0.71 19 283.8354 0.04 1 284.2466 0.47 13 285.2319 0.79 21 285.7335 0.04 1 286.2382 0.31 8 286.5298 0.06 2 287.2491 1.35 36 288.2352 0.35 9 289.2466 0.98 26 289.7864 0.09 2 290.2242 0.22 6 290.6294 0.04 1 291.2344 0.96 26 292.2657 0.45 12 293.2794 1.01 27 294.2283 0.30 8 295.2380 0.48 13 295.6615 0.09 2 296.2317 0.25 7 296.7086 0.04 1 297.2034 0.60 16 297.5175 0.09 2 298.2197 0.35 9 299.2141 0.82 22 300.1078 0.24 6 300.7037 0.07 2 301.2300 1.01 27 302.2458 0.30 8 303.2440 0.92 25 303.6237 0.04 1 304.2349 0.28 7 305.2676 0.65 17 305.6742 0.07 2 306.2308 0.41 11 306.4371 0.14 4 307.2699 0.33 9 307.6202 0.10 3 308.2691 0.19 5 309.2105 0.40 11 309.5967 0.07 2 310.2220 0.23 6 311.1951 0.73 19 312.2218 0.16 4 313.2146 0.86 23 314.2046 0.32 9 314.5777 0.09 2 315.2349 0.62 17 316.1970 0.21 6 316.4736 0.11 3 317.2440 1.17 31 318.2512 0.39 10 319.2555 0.86 23 319.6602 0.06 2 320.2868 0.39 10 321.3064 0.68 18 322.2577 0.14 4 323.2032 0.35 9 323.7765 0.01 0 324.3320 0.18 5 325.2407 0.53 14 325.6712 0.04 1 326.2761 0.19 5 327.2312 0.35 9 327.6425 0.08 2 328.0240 0.10 3 328.3177 0.24 6 329.2910 0.63 17 330.2332 0.27 7 331.3128 0.70 19 332.3196 0.94 25 333.2934 0.90 24 334.2242 0.33 9 334.5876 0.06 2 335.2654 0.19 5 335.8449 0.01 0 336.2859 0.11 3 337.3155 0.23 6 338.2395 0.05 1 339.2366 0.24 6 339.8761 0.06 2 340.3055 0.09 2 341.3298 0.34 9 341.8174 0.03 1 342.3170 0.22 6 342.7033 0.06 2 343.2760 0.57 15 344.2964 0.31 8 344.7275 0.05 1 345.3213 0.83 22 346.3315 0.56 15 347.3240 0.53 14 347.7733 0.04 1 348.3719 0.11 3 349.2347 0.21 6 349.5050 0.05 1 349.7633 0.04 1 350.2859 0.05 1 351.2550 0.30 8 352.3035 0.33 9 353.2655 0.50 13 354.3412 0.34 9 355.3004 0.38 10 355.8788 0.05 1 357.2433 0.70 19 358.3316 0.51 14 359.3186 1.00 27 360.3503 1.15 31 361.3687 0.22 6 361.6300 0.10 3 361.9301 0.03 1 362.3692 0.09 2 362.8696 0.03 1 363.2938 0.22 6 363.6493 0.03 1 364.2992 0.14 4 365.2987 0.88 23 365.8530 0.01 0 366.3387 0.35 9 367.3190 0.44 12 367.7286 0.03 1 368.2816 0.17 5 369.3504 0.41 11 370.3387 0.19 5 371.3076 0.17 5 372.2976 0.25 7 372.7685 0.03 1 373.3302 0.13 3 373.9277 0.01 0 374.4401 0.09 2 375.2827 0.16 4 376.3376 0.08 2 376.6171 0.05 1 377.3060 0.62 17 378.3179 0.74 20 379.2955 0.39 10 380.3420 0.24 6 381.3318 0.16 4 381.8761 0.03 1 382.3890 0.11 3 383.3387 0.66 18 384.3393 0.30 8 385.3311 0.51 14 385.7156 0.07 2 386.3439 0.27 7 387.2986 0.26 7 387.7579 0.02 1 388.3670 0.16 4 389.2784 0.19 5 389.7230 0.02 1 390.3561 0.16 4 391.2828 0.58 15 392.2948 0.23 6 392.8249 0.04 1 393.3115 0.14 4 393.7832 0.04 1 394.3478 0.08 2 394.8150 0.05 1 395.3602 0.27 7 396.3398 0.17 5 396.7637 0.07 2 397.4049 0.73 19 398.3278 1.00 27 398.7607 0.09 2 399.3391 0.52 14 400.3641 0.27 7 401.3278 0.09 2 402.0157 0.03 1 402.2750 0.02 1 403.3378 0.07 2 404.2538 0.10 3 404.6178 0.02 1 405.2793 0.14 4 405.5726 0.07 2 406.1189 0.05 1 406.5410 0.04 1 406.8913 0.02 1 407.2910 0.27 7 407.6787 0.04 1 408.1982 0.04 1 408.5260 0.06 2 408.8674 0.02 1 409.3615 0.17 5 409.7059 0.06 2 410.3482 0.58 15 411.3845 0.57 15 412.3745 1.76 47 413.3660 6.25 167 414.3951 0.14 4 415.3195 0.23 6 416.3024 0.07 2 416.4672 0.04 1 417.3333 0.67 18 418.3868 0.38 10 418.7405 0.06 2 419.3535 0.61 16 420.3922 0.10 3 420.8734 0.03 1 421.4156 0.06 2 422.3754 0.20 5 422.8486 0.02 1 423.3817 0.45 12 424.3476 0.49 13 425.3915 0.42 11 426.3232 0.16 4 426.7037 0.09 2 427.3763 0.47 13 428.0429 0.04 1 428.3815 0.09 2 429.3045 0.17 5 429.6611 0.05 1 430.3084 0.24 6 430.6666 0.05 1 431.3364 0.95 25 432.2776 0.29 8 432.8336 0.07 2 433.5037 0.10 3 433.7285 0.09 2 434.3896 0.05 1 434.8213 0.05 1 435.5454 0.05 1 435.8302 0.05 1 436.2500 0.12 3 436.5799 0.11 3 436.8662 0.06 2 437.4120 0.05 1 438.3867 0.15 4 439.2130 0.20 5 440.4053 0.80 21 441.3548 8.01 214 442.3313 0.29 8 443.3379 0.26 7 444.3221 0.56 15 445.3589 0.68 18 445.6860 0.16 4 446.8625 0.41 11 448.0511 0.12 3 448.9756 0.12 3 449.4845 0.15 4 450.3401 0.02 1 451.2093 0.08 2 451.7827 0.02 1 452.4688 0.12 3 453.0139 0.04 1 453.3502 0.09 2 453.7181 0.04 1 454.0229 0.07 2 454.4613 0.18 5 455.0785 0.11 3 455.4480 0.28 7 456.4022 0.74 20 458.6063 0.70 19 461.3927 0.86 23 462.4291 0.82 22 463.4131 0.17 5 464.0702 0.07 2 464.5157 0.06 2 465.3183 0.14 4 465.6334 0.05 1 466.6252 0.09 2 467.4489 0.30 8 468.1962 0.09 2 468.8069 0.03 1 469.2346 0.09 2 469.5723 0.05 1 470.4068 0.09 2 472.6943 0.24 6 473.5109 0.38 10 474.5033 0.38 10 475.4536 0.73 19 476.4266 21.56 575 477.1038 0.33 9 477.4402 0.18 5 478.3202 0.06 2 478.6460 0.10 3 479.5171 0.14 4 480.3521 0.13 3 480.6390 0.08 2 481.4786 0.10 3 482.4145 1.20 32 483.4298 0.75 20 484.3475 0.38 10 484.7899 0.06 2 485.3733 0.12 3 485.7662 0.06 2 486.4352 0.11 3 486.7291 0.06 2 487.2481 0.20 5 487.6096 0.08 2 488.4181 1.60 43 489.4111 1.76 47 490.3322 0.05 1 491.2954 0.04 1 491.5970 0.02 1 491.9946 0.03 1 492.2841 0.01 0 493.5671 0.13 3 494.5575 0.15 4 494.8396 0.08 2 495.0992 0.05 1 495.3378 0.06 2 495.6320 0.05 1 496.4559 0.72 19 497.4600 0.18 5 497.6957 0.09 2 498.3336 0.18 5 499.2042 0.15 4 499.5675 0.08 2 499.9893 0.11 3 500.3271 0.12 3 500.6228 0.05 1 500.9966 0.04 1 501.3810 0.07 2 502.0145 0.09 2 502.5325 0.11 3 503.0250 0.13 3 503.8268 0.11 3 504.2397 0.01 0 504.6196 0.08 2 505.1437 0.05 1 505.9336 0.05 1 506.2069 0.07 2 506.5463 0.09 2 506.8557 0.02 1 507.5616 0.16 4 508.4282 0.14 4 508.7977 0.05 1 509.4811 0.12 3 510.4841 0.34 9 511.2831 0.27 7 511.5454 0.24 6 512.4254 0.57 15 513.3414 0.06 2 513.7206 0.08 2 514.2559 0.06 2 514.8841 0.06 2 515.8752 0.03 1 516.6654 0.01 0 517.8876 0.02 1 518.3690 0.03 1 518.7049 0.08 2 518.8893 0.04 1 519.4547 0.07 2 520.2316 0.02 1 520.5691 0.05 1 520.9155 0.06 2 521.2950 0.15 4 521.5995 0.03 1 522.4695 0.05 1 522.9660 0.01 0 523.5270 0.18 5 523.7866 0.08 2 524.4526 0.26 7 525.4172 0.53 14 525.8419 0.05 1 526.4465 0.14 4 527.3482 0.08 2 527.7578 0.03 1 528.3610 0.04 1 528.8172 0.04 1 529.5959 0.04 1 530.1857 0.07 2 530.6344 0.06 2 531.9596 0.17 5 532.7445 0.02 1 533.2203 0.08 2 533.7081 0.07 2 534.2095 0.05 1 534.6553 0.10 3 535.4899 0.47 13 536.1128 0.10 3 536.5707 0.10 3 537.5044 0.35 9 538.4262 0.51 14 539.5057 1.58 42 540.5988 0.27 7 540.9937 0.14 4 541.2504 0.12 3 541.9066 0.11 3 542.4622 0.17 5 543.2056 0.20 5 544.0766 0.18 5 545.4643 0.37 10 546.5096 0.42 11 547.1945 0.32 9 550.5714 5.38 143 551.5569 1.08 29 552.5064 1.91 51 553.5618 22.67 604 568.4383 99.97 999 571.2966 11.68 311 572.8414 3.13 83 574.1432 1.59 42 //