ACCESSION: MSBNK-RIKEN_NPDepo-NGA03132
RECORD_TITLE: Huperzine A; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-0006-0090000000-1deea89ec84631eb4c22
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  225.5 1.72 1
  225.6 3.95 3
  225.7 7.67 7
  225.8 12.95 12
  225.9 19.14 19
  226.0 24.91 24
  226.1 28.86 28
  226.2 30.09 30
  226.3 27.82 27
  226.4 21.58 21
  226.5 12.65 12
  226.6 4.38 4
  242.3 0.53 0
  242.4 1.58 1
  242.5 4.63 4
  242.6 10.89 10
  242.7 21.35 21
  242.8 37.04 37
  242.9 57.69 57
  243.0 79.16 79
  243.1 94.72 94
  243.2 100.0 99
  243.3 94.0 93
  243.4 76.48 76
  243.5 49.5 49
  243.6 21.31 21
  243.7 2.37 2
//