ACCESSION: MSBNK-RIKEN_NPDepo-NGA00139
RECORD_TITLE: Dihydroqinghaosu, Dihydroartemisinin.; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Sesquiterpenoids

CH$NAME: Dihydroqinghaosu, Dihydroartemisinin.
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C₁₅H₂₄O₅
CH$EXACT_MASS: 284.3555
CH$SMILES: C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)OC3O[C@]4(C)CCC1C32OO4
CH$IUPAC: InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10?,11+,12+,13?,14+,15?/m1/s1
CH$LINK: CAS 71939-50-9
CH$LINK: CHEMSPIDER 2272104
CH$LINK: INCHIKEY BJDCWCLMFKKGEE-LVSKYXAASA-N
CH$LINK: PUBCHEM CID:44713104

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+H]+

PK$SPLASH: splash10-000i-4393440000-66d6e2043b372bf803e5
PK$NUM_PEAK: 714
PK$PEAK: m/z int. rel.int.
  53.8 2.66 2
  53.9 4.05 4
  54.0 5.15 5
  54.1 5.15 5
  54.2 4.2 4
  54.3 3.27 3
  54.4 3.36 3
  54.5 4.71 4
  54.6 6.57 6
  54.7 7.78 7
  54.8 7.63 7
  54.9 6.37 6
  63.4 1.61 1
  63.5 3.83 3
  63.6 5.67 5
  63.7 5.72 5
  65.3 2.43 2
  65.4 3.99 3
  65.5 5.26 5
  65.6 5.24 5
  67.2 3.01 3
  67.3 4.52 4
  67.4 5.56 5
  67.5 5.05 5
  68.5 2.55 2
  68.6 4.16 4
  68.7 5.33 5
  68.8 5.2 5
  70.4 2.68 2
  70.5 4.06 4
  70.6 5.28 5
  70.7 5.45 5
  70.8 4.47 4
  70.9 3.31 3
  71.0 3.13 3
  71.1 4.15 4
  71.2 5.3 5
  71.3 5.34 5
  71.4 4.09 4
  71.7 2.78 2
  71.8 4.26 4
  71.9 5.15 5
  72.0 4.81 4
  72.1 3.69 3
  72.2 2.79 2
  72.3 2.74 2
  72.4 3.4 3
  72.5 4.03 4
  72.6 3.97 3
  72.7 3.26 3
  72.8 2.59 2
  72.9 2.66 2
  73.0 3.49 3
  73.1 4.53 4
  73.2 5.12 5
  73.3 4.93 4
  73.4 4.23 4
  73.5 3.65 3
  73.6 3.75 3
  73.7 4.45 4
  73.8 4.91 4
  73.9 4.36 4
  74.2 2.5 2
  74.3 4.59 4
  74.4 7.18 7
  74.5 8.58 8
  74.6 7.86 7
  74.7 5.73 5
  80.6 2.35 2
  80.7 3.95 3
  80.8 6.12 6
  80.9 7.64 7
  81.0 7.47 7
  81.1 5.66 5
  83.8 4.2 4
  83.9 6.97 6
  84.0 9.38 9
  84.1 9.41 9
  84.2 6.82 6
  86.4 2.59 2
  86.5 4.7 4
  86.6 6.11 6
  86.7 5.69 5
  87.6 2.56 2
  87.7 4.4 4
  87.8 7.37 7
  87.9 9.86 9
  88.0 10.22 10
  88.1 8.13 8
  88.2 5.05 5
  90.9 2.86 2
  91.0 4.59 4
  91.1 5.57 5
  91.2 5.01 5
  91.3 3.64 3
  91.4 2.86 2
  91.5 3.37 3
  91.6 4.7 4
  91.7 5.81 5
  91.8 5.85 5
  91.9 4.73 4
  96.7 3.92 3
  96.8 5.39 5
  96.9 6.42 6
  97.0 6.24 6
  97.1 5.06 5
  97.2 4.54 4
  97.3 6.33 6
  97.4 9.65 9
  97.5 11.5 11
  97.6 9.89 9
  97.7 6.11 6
  105.6 2.98 2
  105.7 4.53 4
  105.8 5.64 5
  105.9 5.64 5
  106.0 4.7 4
  106.1 3.64 3
  106.2 3.4 3
  106.3 4.18 4
  106.4 5.3 5
  106.5 5.63 5
  106.6 4.67 4
  108.2 2.56 2
  108.3 4.57 4
  108.4 5.86 5
  108.5 5.4 5
  109.5 2.25 2
  109.6 4.08 4
  109.7 5.09 5
  109.8 4.32 4
  110.1 2.52 2
  110.2 4.4 4
  110.3 5.68 5
  110.4 5.46 5
  116.5 3.17 3
  116.6 4.63 4
  116.7 5.42 5
  116.8 4.92 4
  118.4 2.68 2
  118.5 4.44 4
  118.6 5.54 5
  118.7 5.07 5
  125.4 2.22 2
  125.5 4.0 3
  125.6 5.93 5
  125.7 6.33 6
  125.8 4.67 4
  126.1 1.85 1
  126.2 3.78 3
  126.3 5.18 5
  126.4 5.01 5
  129.3 2.25 2
  129.4 3.9 3
  129.5 5.13 5
  129.6 5.03 5
  134.4 2.73 2
  134.5 5.28 5
  134.6 7.42 7
  134.7 7.49 7
  140.8 2.63 2
  140.9 4.34 4
  141.0 5.7 5
  141.1 5.5 5
  152.3 1.95 1
  152.4 3.75 3
  152.5 5.57 5
  152.6 5.95 5
  152.7 4.89 4
  152.8 3.66 3
  152.9 3.39 3
  153.0 4.23 4
  153.1 5.33 5
  153.2 5.63 5
  153.3 4.73 4
  156.8 3.02 3
  156.9 4.71 4
  157.0 5.77 5
  157.1 5.33 5
  161.9 2.0 1
  162.0 3.63 3
  162.1 5.43 5
  162.2 6.05 6
  162.3 5.09 5
  176.0 1.99 1
  176.1 3.8 3
  176.2 5.54 5
  176.3 5.66 5
  176.4 4.08 4
  177.3 2.32 2
  177.4 4.04 4
  177.5 5.27 5
  177.6 5.01 5
  181.1 2.31 2
  181.2 4.05 4
  181.3 5.86 5
  181.4 6.29 6
  181.5 4.94 4
  181.8 2.34 2
  181.9 4.2 4
  182.0 5.53 5
  182.1 5.18 5
  195.2 1.95 1
  195.3 4.14 4
  195.4 6.13 6
  195.5 6.35 6
  195.6 4.79 4
  202.9 2.78 2
  203.0 4.53 4
  203.1 5.79 5
  203.2 5.5 5
  212.5 3.0 2
  212.6 4.6 4
  212.7 5.61 5
  212.8 5.18 5
  215.7 3.01 3
  215.8 4.62 4
  215.9 5.71 5
  216.0 5.62 5
  216.1 4.55 4
  218.9 1.98 1
  219.0 3.89 3
  219.1 5.29 5
  219.2 5.15 5
  222.1 2.84 2
  222.2 4.63 4
  222.3 5.79 5
  222.4 5.51 5
  234.9 3.15 3
  235.0 5.03 5
  235.1 6.34 6
  235.2 5.95 5
  235.3 4.14 4
  238.1 2.41 2
  238.2 3.83 3
  238.3 4.86 4
  238.4 4.77 4
  238.5 3.96 3
  238.6 3.39 3
  238.7 3.65 3
  238.8 4.43 4
  238.9 4.91 4
  239.0 4.54 4
  241.9 2.64 2
  242.0 4.49 4
  242.1 6.14 6
  242.2 6.33 6
  242.3 4.86 4
  242.6 2.83 2
  242.7 4.45 4
  242.8 5.2 5
  242.9 4.47 4
  252.8 2.24 2
  252.9 4.01 4
  253.0 5.67 5
  253.1 5.72 5
  253.2 4.11 4
  254.7 2.57 2
  254.8 4.81 4
  254.9 6.66 6
  255.0 6.63 6
  255.1 4.88 4
  255.4 2.7 2
  255.5 4.29 4
  255.6 5.43 5
  255.7 5.25 5
  255.8 4.08 4
  255.9 3.1 3
  256.0 3.14 3
  256.1 3.96 3
  256.2 4.68 4
  256.3 4.59 4
  256.4 3.68 3
  256.5 2.76 2
  256.6 2.75 2
  256.7 3.84 3
  256.8 5.11 5
  256.9 5.38 5
  257.0 4.46 4
  259.9 2.36 2
  260.0 3.9 3
  260.1 4.92 4
  260.2 4.74 4
  260.3 3.79 3
  260.4 3.16 3
  260.5 3.52 3
  260.6 4.52 4
  260.7 5.13 5
  260.8 4.67 4
  260.9 3.47 3
  261.0 2.62 2
  261.1 2.94 2
  261.2 4.24 4
  261.3 5.4 5
  261.4 5.4 5
  261.8 3.29 3
  261.9 4.75 4
  262.0 5.71 5
  262.1 5.51 5
  263.7 2.62 2
  263.8 4.15 4
  263.9 5.15 5
  264.0 4.88 4
  268.2 2.68 2
  268.3 4.32 4
  268.4 5.37 5
  268.5 4.86 4
  272.0 2.84 2
  272.1 4.66 4
  272.2 6.11 6
  272.3 5.95 5
  272.4 4.17 4
  278.4 2.67 2
  278.5 4.44 4
  278.6 5.97 5
  278.7 5.9 5
  278.8 4.22 4
  281.6 2.3 2
  281.7 4.12 4
  281.8 5.75 5
  281.9 5.85 5
  282.0 4.38 4
  283.5 2.42 2
  283.6 4.1 4
  283.7 6.64 6
  283.8 8.11 8
  283.9 6.88 6
  284.0 3.57 3
  284.2 0.95 0
  284.3 3.65 3
  284.4 6.48 6
  284.5 8.45 8
  284.6 13.23 13
  284.7 24.82 24
  284.8 38.72 38
  284.9 44.05 44
  285.0 39.05 39
  285.1 37.89 37
  285.2 53.8 53
  285.3 78.69 78
  285.4 88.5 88
  285.5 70.42 70
  285.6 37.1 37
  285.7 10.77 10
  285.8 0.51 0
  286.0 1.33 1
  286.1 2.7 2
  286.2 4.62 4
  286.3 6.1 6
  286.4 5.89 5
  286.5 4.25 4
  290.6 2.76 2
  290.7 4.5 4
  290.8 5.76 5
  290.9 5.52 5
  295.7 3.04 3
  295.8 4.77 4
  295.9 5.85 5
  296.0 5.49 5
  299.5 2.96 2
  299.6 4.39 4
  299.7 5.62 5
  299.8 5.66 5
  299.9 4.46 4
  304.0 2.37 2
  304.1 3.98 3
  304.2 5.27 5
  304.3 5.24 5
  307.2 2.44 2
  307.3 4.39 4
  307.4 5.91 5
  307.5 5.9 5
  318.1 3.18 3
  318.2 5.05 5
  318.3 6.34 6
  318.4 5.9 5
  332.8 2.0 1
  332.9 3.75 3
  333.0 5.55 5
  333.1 5.79 5
  333.2 4.32 4
  347.5 2.59 2
  347.6 4.3 4
  347.7 5.98 5
  347.8 6.14 6
  347.9 4.72 4
  352.0 2.4 2
  352.1 4.06 4
  352.2 5.45 5
  352.3 5.36 5
  355.2 2.77 2
  355.3 4.66 4
  355.4 6.15 6
  355.5 6.09 6
  355.6 4.65 4
  361.0 2.97 2
  361.1 4.64 4
  361.2 5.88 5
  361.3 5.63 5
  366.7 2.72 2
  366.8 4.41 4
  366.9 5.87 5
  367.0 5.84 5
  367.1 4.33 4
  367.4 2.42 2
  367.5 4.13 4
  367.6 5.57 5
  367.7 5.63 5
  377.6 2.66 2
  377.7 4.22 4
  377.8 5.3 5
  377.9 5.07 5
  382.7 2.45 2
  382.8 3.96 3
  382.9 5.3 5
  383.0 5.33 5
  385.3 3.01 3
  385.4 4.79 4
  385.5 5.79 5
  385.6 5.34 5
  388.5 3.04 3
  388.6 4.93 4
  388.7 6.18 6
  388.8 5.72 5
  390.4 2.11 2
  390.5 4.02 4
  390.6 5.54 5
  390.7 5.4 5
  391.7 2.74 2
  391.8 4.36 4
  391.9 5.61 5
  392.0 5.39 5
  396.2 2.35 2
  396.3 3.89 3
  396.4 5.05 5
  396.5 4.97 4
  396.6 4.02 4
  396.7 3.29 3
  396.8 3.43 3
  396.9 4.12 4
  397.0 4.5 4
  397.1 3.97 3
  397.4 1.97 1
  397.5 3.56 3
  397.6 5.32 5
  397.7 5.85 5
  397.8 4.7 4
  398.1 2.64 2
  398.2 4.62 4
  398.3 6.21 6
  398.4 6.02 6
  398.5 4.16 4
  400.6 2.75 2
  400.7 4.2 4
  400.8 5.42 5
  400.9 5.57 5
  401.0 4.69 4
  401.1 3.58 3
  401.2 3.11 3
  401.3 3.59 3
  401.4 4.61 4
  401.5 5.23 5
  401.6 4.78 4
  408.4 2.8 2
  408.5 4.34 4
  408.6 5.23 5
  408.7 4.84 4
  408.8 3.86 3
  408.9 3.43 3
  409.0 4.03 4
  409.1 5.07 5
  409.2 5.41 5
  409.3 4.44 4
  409.6 2.51 2
  409.7 4.3 4
  409.8 5.65 5
  409.9 5.48 5
  417.3 2.87 2
  417.4 4.53 4
  417.5 5.69 5
  417.6 5.24 5
  421.1 2.65 2
  421.2 4.33 4
  421.3 5.82 5
  421.4 5.84 5
  421.5 4.35 4
  423.7 3.06 3
  423.8 4.87 4
  423.9 5.93 5
  424.0 5.28 5
  428.8 2.05 2
  428.9 3.74 3
  429.0 5.51 5
  429.1 5.99 5
  432.0 2.03 2
  432.1 4.08 4
  432.2 5.76 5
  432.3 5.7 5
  434.6 2.48 2
  434.7 4.23 4
  434.8 5.6 5
  434.9 5.4 5
  441.0 2.46 2
  441.1 4.23 4
  441.2 5.37 5
  441.3 4.88 4
  446.1 3.03 3
  446.2 4.71 4
  446.3 5.91 5
  446.4 5.51 5
  454.4 2.74 2
  454.5 4.3 4
  454.6 5.32 5
  454.7 4.98 4
  462.1 3.42 3
  462.2 4.82 4
  462.3 5.74 5
  462.4 5.52 5
  465.3 3.09 3
  465.4 4.52 4
  465.5 5.61 5
  465.6 5.47 5
  468.5 2.86 2
  468.6 4.54 4
  468.7 5.63 5
  468.8 5.02 5
  476.2 3.11 3
  476.3 4.64 4
  476.4 5.82 5
  476.5 5.72 5
  476.6 4.53 4
  476.7 3.43 3
  476.8 3.49 3
  476.9 4.54 4
  477.0 5.38 5
  477.1 4.97 4
  480.0 2.94 2
  480.1 4.29 4
  480.2 5.35 5
  480.3 5.46 5
  483.2 2.03 2
  483.3 3.82 3
  483.4 5.37 5
  483.5 5.38 5
  484.5 2.31 2
  484.6 4.25 4
  484.7 5.85 5
  484.8 5.69 5
  487.7 2.13 2
  487.8 3.74 3
  487.9 5.0 4
  488.0 5.17 5
  488.1 4.39 4
  488.2 3.49 3
  488.3 3.33 3
  488.4 4.01 4
  488.5 4.8 4
  488.6 4.79 4
  488.7 3.84 3
  488.8 2.7 2
  488.9 2.42 2
  489.0 3.27 3
  489.1 4.42 4
  489.2 4.74 4
  489.3 3.93 3
  489.4 2.8 2
  489.5 2.31 2
  489.6 2.82 2
  489.7 3.96 3
  489.8 4.94 4
  489.9 5.0 4
  490.0 4.05 4
  490.1 3.0 2
  490.2 2.98 2
  490.3 4.14 4
  490.4 5.41 5
  490.5 5.61 5
  490.6 4.52 4
  492.8 2.48 2
  492.9 4.17 4
  493.0 5.42 5
  493.1 5.21 5
  496.0 1.98 1
  496.1 4.1 4
  496.2 5.84 5
  496.3 5.94 5
  497.3 2.5 2
  497.4 4.24 4
  497.5 5.73 5
  497.6 5.82 5
  498.6 3.15 3
  498.7 4.54 4
  498.8 5.34 5
  498.9 4.82 4
  506.9 2.64 2
  507.0 4.51 4
  507.1 5.68 5
  507.2 5.22 5
  508.2 2.99 2
  508.3 4.51 4
  508.4 5.51 5
  508.5 5.15 5
  510.1 2.65 2
  510.2 4.5 4
  510.3 5.67 5
  510.4 5.25 5
  510.5 3.66 3
  510.8 2.68 2
  510.9 4.13 4
  511.0 5.04 5
  511.1 4.74 4
  511.2 3.63 3
  511.3 2.84 2
  511.4 3.07 3
  511.5 3.98 3
  511.6 4.65 4
  511.7 4.47 4
  511.8 3.58 3
  511.9 2.86 2
  512.0 3.21 3
  512.1 4.54 4
  512.2 5.63 5
  512.3 5.27 5
  513.3 3.07 3
  513.4 4.38 4
  513.5 5.45 5
  513.6 5.48 5
  517.1 2.65 2
  517.2 4.74 4
  517.3 6.23 6
  517.4 5.9 5
  517.5 4.17 4
  521.0 3.08 3
  521.1 4.62 4
  521.2 5.68 5
  521.3 5.33 5
  522.9 2.88 2
  523.0 4.8 4
  523.1 6.13 6
  523.2 5.76 5
  526.7 1.85 1
  526.8 3.54 3
  526.9 5.12 5
  527.0 5.46 5
  528.0 2.9 2
  528.1 4.55 4
  528.2 5.57 5
  528.3 5.15 5
  542.1 2.86 2
  542.2 4.6 4
  542.3 5.69 5
  542.4 5.38 5
  542.5 4.15 4
  542.6 3.31 3
  542.7 3.84 3
  542.8 5.6 5
  542.9 7.21 7
  543.0 7.28 7
  543.1 5.63 5
  543.2 3.42 3
  547.9 2.65 2
  548.0 4.1 4
  548.1 5.09 5
  548.2 4.84 4
  548.3 3.75 3
  548.4 3.04 3
  548.5 3.49 3
  548.6 4.62 4
  548.7 5.24 5
  548.8 4.62 4
  554.9 2.79 2
  555.0 4.36 4
  555.1 5.26 5
  555.2 4.77 4
  555.3 3.54 3
  555.4 2.84 2
  555.5 3.33 3
  555.6 4.59 4
  555.7 5.64 5
  555.8 5.6 5
  555.9 4.37 4
  558.7 2.56 2
  558.8 4.16 4
  558.9 5.48 5
  559.0 5.39 5
  564.5 2.66 2
  564.6 4.25 4
  564.7 5.37 5
  564.8 5.24 5
  568.3 2.5 2
  568.4 4.22 4
  568.5 5.71 5
  568.6 5.87 5
  568.7 4.51 4
  572.2 2.85 2
  572.3 4.6 4
  572.4 5.72 5
  572.5 5.33 5
  579.2 3.1 3
  579.3 4.93 4
  579.4 6.24 6
  579.5 5.97 5
  581.8 2.68 2
  581.9 4.08 4
  582.0 4.92 4
  582.1 4.52 4
  588.2 3.04 3
  588.3 4.39 4
  588.4 5.26 5
  588.5 4.91 4
  598.4 3.06 3
  598.5 4.72 4
  598.6 5.79 5
  598.7 5.29 5
//