ACCESSION: MSBNK-RIKEN_NPDepo-NGA01000
RECORD_TITLE: Hippeastrine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Isoquinoline alkaloids, Amaryllidaceae alkaloids

CH$NAME: Hippeastrine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₇H₁₇NO₅
CH$EXACT_MASS: 315.3287
CH$SMILES: CN1CCC2=C[C@@H](O)[C@@H]3OC(=O)c4cc5c(cc4C3[C@H]21)OCO5
CH$IUPAC: InChI=1S/C17H17NO5/c1-18-3-2-8-4-11(19)16-14(15(8)18)9-5-12-13(22-7-21-12)6-10(9)17(20)23-16/h4-6,11,14-16,19H,2-3,7H2,1H3/t11-,14?,15+,16+/m1/s1
CH$LINK: CAS 477-17-8
CH$LINK: CHEMSPIDER 390262
CH$LINK: INCHIKEY DGQPIOQRPAGNGB-IXFHYDNRSA-N
CH$LINK: PUBCHEM CID:6713962

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$SPLASH: splash10-014i-1692000000-7cd8444c334873fc686c
PK$NUM_PEAK: 408
PK$PEAK: m/z int. rel.int.
  71.6 1.39 1
  71.7 2.84 2
  71.8 4.64 4
  71.9 6.02 6
  72.0 6.59 6
  72.1 6.48 6
  72.2 5.73 5
  72.3 4.2 4
  72.4 2.21 2
  81.6 1.82 1
  81.7 3.48 3
  81.8 5.68 5
  81.9 7.55 7
  82.0 8.39 8
  82.1 8.06 8
  82.2 6.83 6
  82.3 5.19 5
  82.7 2.97 2
  82.8 4.9 4
  82.9 7.77 7
  83.0 10.61 10
  83.1 11.73 11
  83.2 10.08 10
  83.3 6.52 6
  83.4 3.02 3
  93.4 1.06 1
  93.5 2.37 2
  93.6 5.28 5
  93.7 9.23 9
  93.8 12.71 12
  93.9 15.16 15
  94.0 17.51 17
  94.1 19.91 19
  94.2 20.36 20
  94.3 16.78 16
  94.4 10.08 10
  94.5 3.68 3
  95.5 3.24 3
  95.6 5.08 5
  95.7 8.35 8
  95.8 12.38 12
  95.9 16.0 15
  96.0 18.7 18
  96.1 20.65 20
  96.2 21.21 21
  96.3 18.72 18
  96.4 12.79 12
  96.5 5.83 5
  96.6 1.27 1
  125.6 1.92 1
  125.7 3.05 3
  125.8 5.43 5
  125.9 8.32 8
  126.0 10.41 10
  126.1 11.45 11
  126.2 11.96 11
  126.3 11.49 11
  126.4 8.99 8
  126.5 4.89 4
  126.6 1.38 1
  152.5 1.6 1
  152.6 3.12 3
  152.7 5.38 5
  152.8 8.29 8
  152.9 11.22 11
  153.0 13.2 13
  153.1 13.42 13
  153.2 11.69 11
  153.3 8.66 8
  153.4 5.43 5
  153.5 2.89 2
  164.7 1.73 1
  164.8 3.33 3
  164.9 5.24 5
  165.0 6.5 6
  165.1 6.43 6
  165.2 5.25 5
  165.3 3.71 3
  172.8 2.24 2
  172.9 3.63 3
  173.0 4.97 4
  173.1 5.34 5
  173.2 4.38 4
  173.3 2.63 2
  174.5 2.24 2
  174.6 3.33 3
  174.7 6.42 6
  174.8 11.93 11
  174.9 18.18 18
  175.0 22.65 22
  175.1 23.75 23
  175.2 21.1 21
  175.3 15.38 15
  175.4 8.53 8
  175.5 3.24 3
  176.6 1.42 1
  176.7 3.57 3
  176.8 6.76 6
  176.9 9.59 9
  177.0 10.81 10
  177.1 10.23 10
  177.2 8.4 8
  177.3 5.75 5
  177.4 2.89 2
  178.6 2.09 2
  178.7 3.36 3
  178.8 4.61 4
  178.9 5.49 5
  179.0 5.84 5
  179.1 5.59 5
  179.2 4.7 4
  179.3 3.27 3
  180.3 1.08 1
  180.4 2.59 2
  180.5 5.67 5
  180.6 10.92 10
  180.7 19.5 19
  180.8 31.72 31
  180.9 44.9 44
  181.0 54.18 54
  181.1 56.65 56
  181.2 53.1 53
  181.3 44.86 44
  181.4 32.02 31
  181.5 16.62 16
  181.6 4.15 4
  186.6 1.79 1
  186.7 3.25 3
  186.8 4.97 4
  186.9 6.34 6
  187.0 7.1 7
  187.1 7.42 7
  187.2 7.2 7
  187.3 5.95 5
  187.4 3.67 3
  190.3 0.66 0
  190.4 2.19 2
  190.5 6.1 6
  190.6 13.33 13
  190.7 24.45 24
  190.8 38.12 38
  190.9 50.45 50
  191.0 57.6 57
  191.1 59.02 58
  191.2 55.68 55
  191.3 46.54 46
  191.4 30.82 30
  191.5 13.15 13
  191.6 1.39 1
  193.8 2.89 2
  193.9 4.84 4
  194.0 6.36 6
  194.1 7.06 7
  194.2 7.25 7
  194.3 7.02 7
  194.4 5.92 5
  194.5 3.92 3
  196.7 4.12 4
  196.8 6.02 6
  196.9 8.43 8
  197.0 10.41 10
  197.1 10.86 10
  197.2 9.23 9
  197.3 6.14 6
  197.4 3.02 3
  208.6 3.1 3
  208.7 4.24 4
  208.8 6.97 6
  208.9 10.98 10
  209.0 14.74 14
  209.1 16.76 16
  209.2 16.59 16
  209.3 14.22 14
  209.4 9.82 9
  209.5 4.61 4
  210.5 1.22 1
  210.6 2.58 2
  210.7 5.02 5
  210.8 7.62 7
  210.9 9.11 9
  211.0 9.15 9
  211.1 8.65 8
  211.2 8.16 8
  211.3 6.98 6
  211.4 4.54 4
  211.5 1.78 1
  212.7 2.1 2
  212.8 4.28 4
  212.9 6.14 6
  213.0 6.76 6
  213.1 6.52 6
  213.2 6.0 5
  213.3 4.93 4
  213.4 3.04 3
  216.6 1.68 1
  216.7 2.91 2
  216.8 4.43 4
  216.9 6.08 6
  217.0 7.27 7
  217.1 7.3 7
  217.2 6.17 6
  217.3 4.52 4
  217.4 2.86 2
  221.5 3.07 3
  221.6 4.62 4
  221.7 7.43 7
  221.8 10.58 10
  221.9 13.38 13
  222.0 15.28 15
  222.1 15.67 15
  222.2 14.21 14
  222.3 11.21 11
  222.4 7.42 7
  222.5 3.83 3
  224.5 2.17 2
  224.6 3.75 3
  224.7 5.59 5
  224.8 6.5 6
  224.9 6.53 6
  225.0 7.12 7
  225.1 8.75 8
  225.2 9.64 9
  225.3 7.92 7
  225.4 4.27 4
  226.5 2.41 2
  226.6 3.77 3
  226.7 6.18 6
  226.8 10.21 10
  226.9 15.3 15
  227.0 19.28 19
  227.1 20.02 19
  227.2 17.42 17
  227.3 13.19 13
  227.4 9.01 9
  227.5 5.64 5
  236.8 1.75 1
  236.9 3.21 3
  237.0 4.47 4
  237.1 4.9 4
  237.2 4.37 4
  237.3 3.14 3
  238.2 1.4 1
  238.3 2.7 2
  238.4 5.03 5
  238.5 8.66 8
  238.6 13.78 13
  238.7 20.51 20
  238.8 28.77 28
  238.9 37.69 37
  239.0 45.32 45
  239.1 49.4 49
  239.2 48.29 48
  239.3 40.97 40
  239.4 28.19 28
  239.5 13.94 13
  239.6 3.63 3
  240.7 2.77 2
  240.8 5.01 5
  240.9 7.41 7
  241.0 8.69 8
  241.1 9.06 9
  241.2 9.29 9
  241.3 8.78 8
  241.4 6.38 6
  241.5 2.91 2
  248.8 1.32 1
  248.9 2.69 2
  249.0 4.04 4
  249.1 4.7 4
  249.2 4.29 4
  249.3 3.03 3
  249.7 1.66 1
  249.8 3.55 3
  249.9 5.76 5
  250.0 7.73 7
  250.1 9.16 9
  250.2 9.74 9
  250.3 8.99 8
  250.4 6.95 6
  250.7 4.25 4
  250.8 6.33 6
  250.9 9.03 9
  251.0 11.7 11
  251.1 13.92 13
  251.2 14.8 14
  251.3 12.97 12
  251.4 8.38 8
  251.5 3.38 3
  251.7 1.56 1
  251.8 4.27 4
  251.9 7.24 7
  252.0 9.22 9
  252.1 9.88 9
  252.2 9.6 9
  252.3 8.6 8
  252.4 6.54 6
  252.5 3.61 3
  254.6 3.3 3
  254.7 4.92 4
  254.8 7.62 7
  254.9 11.3 11
  255.0 14.6 14
  255.1 15.62 15
  255.2 13.6 13
  255.3 9.44 9
  255.4 4.91 4
  261.2 1.46 1
  261.3 2.65 2
  261.4 4.16 4
  261.5 5.61 5
  261.6 7.48 7
  261.7 11.29 11
  261.8 17.41 17
  261.9 23.34 23
  262.0 26.32 26
  262.1 26.64 26
  262.2 25.85 25
  262.3 22.96 22
  262.4 16.09 16
  262.5 7.07 7
  262.6 0.61 0
  263.7 0.98 0
  263.8 2.35 2
  263.9 4.27 4
  264.0 5.73 5
  264.1 6.0 5
  264.2 5.21 5
  264.3 4.0 3
  264.4 3.0 2
  264.5 2.58 2
  264.6 2.69 2
  264.7 3.32 3
  264.8 4.63 4
  264.9 6.67 6
  265.0 8.86 8
  265.1 10.32 10
  265.2 10.53 10
  265.3 9.29 9
  265.4 6.66 6
  265.5 3.47 3
  266.6 3.09 3
  266.7 5.19 5
  266.8 7.01 7
  266.9 8.03 8
  267.0 8.83 8
  267.1 9.53 9
  267.2 9.19 9
  267.3 7.14 7
  267.4 4.15 4
  269.7 1.69 1
  269.8 3.21 3
  269.9 5.98 5
  270.0 9.52 9
  270.1 12.03 12
  270.2 11.58 11
  270.3 8.11 8
  270.4 3.76 3
  272.5 2.0 1
  272.6 3.89 3
  272.7 6.57 6
  272.8 9.69 9
  272.9 12.88 12
  273.0 15.06 15
  273.1 15.1 15
  273.2 13.13 13
  273.3 10.22 10
  273.4 6.98 6
  273.5 3.66 3
  279.4 1.81 1
  279.5 3.69 3
  279.6 5.9 5
  279.7 8.21 8
  279.8 10.58 10
  279.9 12.75 12
  280.0 14.45 14
  280.1 15.69 15
  280.2 15.85 15
  280.3 13.52 13
  280.4 8.51 8
  280.5 3.12 3
  297.4 1.43 1
  297.5 2.71 2
  297.6 4.24 4
  297.7 6.43 6
  297.8 9.93 9
  297.9 14.59 14
  298.0 19.09 19
  298.1 22.05 22
  298.2 22.51 22
  298.3 19.51 19
  298.4 12.99 12
  298.5 5.37 5
  298.6 0.49 0
  315.3 1.62 1
  315.4 3.27 3
  315.5 6.89 6
  315.6 13.66 13
  315.7 25.53 25
  315.8 43.96 43
  315.9 66.41 66
  316.0 85.99 85
  316.1 97.28 97
  316.2 100.0 99
  316.3 93.9 93
  316.4 75.41 75
  316.5 45.42 45
  316.6 15.37 15
  316.7 0.33 0
//