ACCESSION: MSBNK-RIKEN_NPDepo-NGA03456
RECORD_TITLE: 20,24-Epoxydammarane-3,11,25-triol; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+NH4]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Triterpenoids

CH$NAME: 20,24-Epoxydammarane-3,11,25-triol
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C₃₀H₅₂O₄
CH$EXACT_MASS: 476.7465
CH$SMILES: CC(C)(O)C1CC[C@](C)(C2CC[C@]3(C)C2C[C@@H](O)C2[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@]23C)O1
CH$IUPAC: InChI=1S/C30H52O4/c1-25(2)21-10-15-29(7)24(27(21,5)13-11-22(25)32)20(31)17-19-18(9-14-28(19,29)6)30(8)16-12-23(34-30)26(3,4)33/h18-24,31-33H,9-17H2,1-8H3/t18?,19?,20-,21?,22+,23?,24?,27+,28-,29-,30-/m1/s1
CH$LINK: CHEMSPIDER 4396117
CH$LINK: INCHIKEY VGALEQRDKRZJFD-NGJDISLOSA-N

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+

PK$SPLASH: splash10-0006-0910000000-b24ce772520899c485ed
PK$NUM_PEAK: 102
PK$PEAK: m/z int. rel.int.
  70.6 5.67 5
  70.7 7.44 7
  70.8 9.6 9
  70.9 10.29 10
  71.0 8.55 8
  94.5 5.36 5
  94.6 6.32 6
  94.7 8.87 8
  94.8 13.34 13
  94.9 16.44 16
  95.0 14.76 14
  95.1 9.61 9
  95.2 5.24 5
  108.8 4.98 4
  108.9 6.64 6
  109.0 10.78 10
  109.1 14.96 14
  109.2 15.11 15
  109.3 10.66 10
  109.4 5.51 5
  118.4 2.75 2
  118.5 4.71 4
  118.6 13.12 13
  118.7 29.21 29
  118.8 45.63 45
  118.9 49.75 49
  119.0 36.77 36
  119.1 16.44 16
  119.2 2.73 2
  124.6 6.17 6
  124.7 7.88 7
  124.8 9.7 9
  124.9 10.77 10
  125.0 10.57 10
  125.1 9.6 9
  125.2 8.41 8
  125.3 6.86 6
  134.6 5.22 5
  134.7 8.87 8
  134.8 13.08 13
  134.9 14.83 14
  135.0 12.81 12
  135.1 8.92 8
  142.4 2.45 2
  142.5 6.72 6
  142.6 19.13 19
  142.7 42.41 42
  142.8 71.33 71
  142.9 92.85 92
  143.0 95.79 95
  143.1 79.86 79
  143.2 54.22 54
  143.3 29.38 29
  143.4 11.37 11
  143.5 3.38 3
  146.3 3.3 3
  146.4 4.67 4
  146.5 7.24 7
  146.6 11.16 11
  146.7 16.41 16
  146.8 22.27 22
  146.9 25.97 25
  147.0 23.94 23
  147.1 16.09 16
  147.2 7.31 7
  188.4 3.36 3
  188.5 5.2 5
  188.6 8.87 8
  188.7 14.06 14
  188.8 18.49 18
  188.9 18.73 18
  189.0 14.16 14
  189.1 8.69 8
  201.0 5.38 5
  201.1 8.11 8
  201.2 12.09 12
  201.3 14.53 14
  201.4 12.95 12
  201.5 8.28 8
  202.5 3.93 3
  202.6 6.57 6
  202.7 10.75 10
  202.8 17.23 17
  202.9 24.91 24
  203.0 28.96 28
  203.1 25.16 25
  203.2 15.98 15
  203.3 8.41 8
  288.9 4.86 4
  289.0 8.38 8
  289.1 11.25 11
  289.2 10.98 10
  289.3 7.78 7
  422.8 5.97 5
  422.9 10.16 10
  423.0 16.23 16
  423.1 21.1 21
  423.2 22.47 22
  423.3 19.96 19
  423.4 14.63 14
  423.5 8.58 8
  423.6 4.18 4
//