ACCESSION: MSBNK-Kyoto_Univ-CA000106
RECORD_TITLE: Cycloviolaxanthin; FAB-EBEB; MS2; m/z: 600.42; [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. doi:10.5702/massspec.48.32 Maoka, T.; Fujiwara, Y.; Hashimoto, K.; Akimoto, N. Characterization of epoxy carotenoids by fast atom bombardment collision-induced dissociation MS2. Lipids 2004, 39,179-183. doi:10.1007/s11745-004-1217-3
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] CA000106.jpg

CH$NAME: Cycloviolaxanthin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄₀H₅₆O₄
CH$EXACT_MASS: 600.41786
CH$SMILES: C(C1(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C)C=CC(C(C)(O)3)(C(C)(C)4)OC(C4)C3)C)C)C)2)(C)(O)CC(O2)CC(C)(C)1
CH$IUPAC: InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(43-39)27-37(39,9)41)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(44-40)28-38(40,10)42/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39+,40+/m0/s1
CH$LINK: LIPIDBANK VCA0061
CH$LINK: INCHIKEY RZEVGLVRLUDYEA-AOXVFRMFSA-N

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$FOCUSED_ION: BASE_PEAK 43.0218
MS$FOCUSED_ION: PRECURSOR_M/Z 600.42
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+*
MS$DATA_PROCESSING: RELATIVE_M/Z normalised by peak(m/z=43.0218). set 999 for peak(m/z=600.3180,rel=4996).

PK$SPLASH: splash10-0udi-3931003000-125097f4ab913cde97ee
PK$NUM_PEAK: 639
PK$PEAK: m/z int. rel.int.
  13.0123 0.01 0
  14.0358 0.04 2
  15.0443 0.19 9
  25.0639 0.01 0
  26.0404 0.10 5
  27.0441 0.91 45
  28.0485 0.08 4
  29.0499 0.64 32
  30.0415 0.01 0
  31.0282 0.08 4
  37.0280 0.06 3
  38.0353 0.14 7
  38.4163 0.01 0
  39.0442 1.32 66
  40.0541 0.21 10
  40.4603 0.01 0
  41.0490 3.11 155
  42.0460 0.28 14
  42.3531 0.01 0
  43.0218 19.99 999
  43.4995 0.01 0
  44.0148 0.07 3
  45.0297 0.12 6
  48.7958 0.01 0
  50.0192 0.26 13
  51.0207 0.58 29
  52.0257 0.22 11
  53.0211 1.25 62
  54.0172 0.09 4
  54.6105 0.01 0
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  56.0412 0.18 9
  57.0375 0.73 36
  58.0108 0.20 10
  58.3407 0.01 0
  59.0278 0.32 16
  59.9700 0.01 0
  61.0136 0.05 2
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  63.0101 0.50 25
  64.0281 0.10 5
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  69.5382 0.01 0
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//