ACCESSION: MSBNK-RIKEN_NPDepo-NGA03129
RECORD_TITLE: Huperzine A; 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: Sesquiterpenoids

CH$NAME: Huperzine A
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C₁₅H₁₈N₂O
CH$EXACT_MASS: 242.3235
CH$SMILES: C/C=C1\C2C=C(C)CC1(N)c1ccc(O)nc1C2
CH$IUPAC: InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+
CH$LINK: CAS 120786-18-7
CH$LINK: CHEMSPIDER 4744649
CH$LINK: INCHIKEY ZRJBHWIHUMBLCN-QDEBKDIKSA-N
CH$LINK: PUBCHEM CID:5912039

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$SPLASH: splash10-03fr-0980000000-f217d4639edb07f95c03
PK$NUM_PEAK: 329
PK$PEAK: m/z int. rel.int.
  91.6 2.07 2
  91.7 4.04 4
  91.8 6.14 6
  91.9 7.3 7
  92.0 7.23 7
  92.1 6.41 6
  92.2 5.32 5
  92.3 4.14 4
  92.4 2.87 2
  133.4 2.69 2
  133.5 4.41 4
  133.6 7.29 7
  133.7 10.67 10
  133.8 13.91 13
  133.9 16.7 16
  134.0 18.86 18
  134.1 20.04 20
  134.2 19.92 19
  134.3 18.2 18
  134.4 14.56 14
  134.5 9.44 9
  134.6 4.74 4
  152.7 1.77 1
  152.8 3.09 3
  152.9 4.98 4
  153.0 6.71 6
  153.1 7.61 7
  153.2 7.73 7
  153.3 7.27 7
  153.4 6.11 6
  153.5 4.35 4
  154.8 2.75 2
  154.9 4.67 4
  155.0 6.2 6
  155.1 6.77 6
  155.2 6.36 6
  155.3 5.19 5
  157.7 3.42 3
  157.8 5.47 5
  157.9 7.16 7
  158.0 7.61 7
  158.1 7.55 7
  158.2 7.81 7
  158.3 7.67 7
  158.4 5.91 5
  158.5 3.0 2
  164.6 1.14 1
  164.7 2.89 2
  164.8 6.23 6
  164.9 9.42 9
  165.0 10.51 10
  165.1 9.46 9
  165.2 7.67 7
  165.5 5.42 5
  165.6 7.41 7
  165.7 11.26 11
  165.8 16.79 16
  165.9 23.45 23
  166.0 29.7 29
  166.1 33.23 33
  166.2 32.3 32
  166.3 26.72 26
  166.4 17.97 17
  166.5 9.01 9
  166.6 3.14 3
  167.6 1.49 1
  167.7 3.03 3
  167.8 6.1 6
  167.9 9.83 9
  168.0 12.99 12
  168.1 14.55 14
  168.2 14.03 14
  168.3 11.52 11
  168.4 7.99 7
  168.7 6.46 6
  168.8 9.04 9
  168.9 11.97 11
  169.0 15.03 15
  169.1 17.27 17
  169.2 17.42 17
  169.3 15.16 15
  169.4 11.45 11
  169.7 7.61 7
  169.8 9.95 9
  169.9 11.27 11
  170.0 11.24 11
  170.1 11.49 11
  170.2 12.92 12
  170.3 13.79 13
  170.4 11.7 11
  170.5 6.93 6
  170.6 2.47 2
  177.5 1.66 1
  177.6 2.86 2
  177.7 4.05 4
  177.8 5.14 5
  177.9 6.19 6
  178.0 7.29 7
  178.1 8.31 8
  178.2 8.68 8
  178.3 7.9 7
  178.4 6.27 6
  178.8 4.99 4
  178.9 6.57 6
  179.0 8.24 8
  179.1 9.54 9
  179.2 10.15 10
  179.3 9.69 9
  179.4 7.93 7
  179.7 5.64 5
  179.8 9.56 9
  179.9 14.01 13
  180.0 16.51 16
  180.1 16.27 16
  180.2 14.36 14
  180.3 11.99 11
  180.6 7.14 7
  180.7 9.56 9
  180.8 15.29 15
  180.9 23.12 23
  181.0 30.21 30
  181.1 34.16 34
  181.2 34.72 34
  181.3 32.27 32
  181.4 26.2 26
  181.5 17.13 17
  181.8 9.57 9
  181.9 13.64 13
  182.0 15.71 15
  182.1 15.83 15
  182.2 14.96 14
  182.3 12.93 12
  182.4 9.45 9
  182.7 7.73 7
  182.8 12.24 12
  182.9 16.9 16
  183.0 20.07 20
  183.1 20.85 20
  183.2 19.79 19
  183.3 17.94 17
  183.4 15.32 15
  183.7 9.87 9
  183.8 13.64 13
  183.9 19.24 19
  184.0 24.79 24
  184.1 28.22 28
  184.2 27.86 27
  184.3 23.49 23
  184.4 16.48 16
  184.5 9.14 9
  184.6 3.79 3
  186.6 3.16 3
  186.7 4.73 4
  186.8 7.18 7
  186.9 10.23 10
  187.0 12.92 12
  187.1 14.11 14
  187.2 13.34 13
  187.3 10.82 10
  187.4 7.25 7
  187.5 3.74 3
  191.6 5.06 5
  191.7 6.38 6
  191.8 8.01 8
  191.9 10.15 10
  192.0 12.61 12
  192.1 14.43 14
  192.2 14.3 14
  192.3 11.92 11
  192.6 6.8 6
  192.7 11.77 11
  192.8 19.48 19
  192.9 26.94 26
  193.0 31.58 31
  193.1 32.6 32
  193.2 30.58 30
  193.3 25.87 25
  193.4 18.44 18
  193.5 9.71 9
  193.6 2.9 2
  195.4 2.19 2
  195.5 5.67 5
  195.6 13.19 13
  195.7 25.29 25
  195.8 40.42 40
  195.9 54.96 54
  196.0 65.08 65
  196.1 69.1 69
  196.2 67.31 67
  196.3 59.59 59
  196.4 45.58 45
  196.5 28.75 28
  196.7 16.66 16
  196.8 26.44 26
  196.9 40.28 40
  197.0 52.2 52
  197.1 58.55 58
  197.2 58.02 57
  197.3 51.01 50
  197.4 38.89 38
  197.5 24.43 24
  197.6 12.32 12
  197.8 9.12 9
  197.9 14.99 14
  198.0 20.3 20
  198.1 22.94 22
  198.2 22.93 22
  198.3 20.52 20
  198.4 15.61 15
  198.5 9.09 9
  198.6 3.36 3
  205.5 1.05 1
  205.6 2.52 2
  205.7 4.62 4
  205.8 6.75 6
  205.9 8.72 8
  206.0 10.62 10
  206.1 12.05 12
  206.2 11.98 11
  206.3 9.78 9
  206.4 6.21 6
  206.5 2.85 2
  207.4 3.19 3
  207.5 4.33 4
  207.6 7.34 7
  207.7 13.65 13
  207.8 23.08 23
  207.9 33.15 33
  208.0 40.69 40
  208.1 44.16 44
  208.2 43.93 43
  208.3 40.03 39
  208.4 31.57 31
  208.5 19.47 19
  208.6 8.35 8
  208.8 4.57 4
  208.9 8.78 8
  209.0 11.74 11
  209.1 12.31 12
  209.2 11.84 11
  209.3 11.74 11
  209.4 12.47 12
  209.5 14.96 14
  209.6 21.64 21
  209.7 34.81 34
  209.8 54.01 53
  209.9 75.1 75
  210.0 91.88 91
  210.1 100.0 99
  210.2 98.96 98
  210.3 89.38 89
  210.4 70.91 70
  210.5 46.31 46
  210.6 24.65 24
  210.8 18.74 18
  210.9 28.42 28
  211.0 36.7 36
  211.1 40.18 40
  211.2 39.09 39
  211.3 34.54 34
  211.4 26.88 26
  211.5 16.99 16
  211.6 7.96 7
  212.8 4.0 3
  212.9 5.69 5
  213.0 7.59 7
  213.1 9.04 9
  213.2 9.06 9
  213.3 7.16 7
  213.4 4.06 4
  213.5 1.3 1
  223.5 1.62 1
  223.6 3.32 3
  223.7 7.1 7
  223.8 12.91 12
  223.9 18.67 18
  224.0 21.95 21
  224.1 22.38 22
  224.2 21.08 21
  224.3 18.27 18
  224.4 13.24 13
  224.5 6.88 6
  224.6 1.94 1
  225.2 1.93 1
  225.3 3.66 3
  225.4 5.74 5
  225.5 8.67 8
  225.6 14.05 14
  225.7 23.88 23
  225.8 38.87 38
  225.9 56.56 56
  226.0 71.54 71
  226.1 79.43 79
  226.2 80.36 80
  226.3 75.75 75
  226.4 64.19 64
  226.5 45.25 45
  226.6 25.27 25
  226.9 18.25 18
  227.0 25.82 25
  227.1 32.22 32
  227.2 35.0 34
  227.3 32.15 32
  227.4 24.08 24
  227.5 13.86 13
  227.6 5.64 5
  227.8 1.73 1
  227.9 5.57 5
  228.0 10.23 10
  228.1 13.43 13
  228.2 13.78 13
  228.3 11.13 11
  228.4 6.63 6
  228.5 2.41 2
  242.3 0.59 0
  242.4 1.71 1
  242.5 4.86 4
  242.6 10.79 10
  242.7 20.61 20
  242.8 34.57 34
  242.9 50.49 50
  243.0 64.09 64
  243.1 72.55 72
  243.2 76.49 76
  243.3 75.88 75
  243.4 66.56 66
  243.5 45.99 45
  243.6 20.77 20
  243.7 2.95 2
//