MassBank Record: NGA03456



 20,24-Epoxydammarane-3,11,25-triol; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+NH4]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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 TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
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: 476.74654000000004 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$LINK: PUBCHEM CID:4396117 CH$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 //