ACCESSION: MSBNK-RIKEN_NPDepo-NGA03130
RECORD_TITLE: Huperzine A; 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$NAME: Huperzine A
CH$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$SPLASH: splash10-0006-0090000000-43f6c6ada32f64fab3e9
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  197.8 3.33 3
  197.9 4.67 4
  198.0 5.59 5
  198.1 6.04 6
  198.2 6.08 6
  198.3 5.5 5
  198.4 4.08 4
  198.5 2.15 2
  210.8 3.18 3
  210.9 4.8 4
  211.0 5.97 5
  211.1 6.44 6
  211.2 6.3 6
  211.3 5.47 5
  211.4 3.9 3
  211.5 1.99 1
  225.4 1.24 1
  225.5 2.47 2
  225.6 4.73 4
  225.7 8.46 8
  225.8 14.13 14
  225.9 21.6 21
  226.0 29.25 29
  226.1 34.49 34
  226.2 35.36 35
  226.3 31.54 31
  226.4 23.97 23
  226.5 14.57 14
  226.6 6.13 6
  226.7 1.04 1
  242.3 0.08 0
  242.4 1.0 0
  242.5 5.33 5
  242.6 13.23 13
  242.7 23.97 23
  242.8 38.11 38
  242.9 56.85 56
  243.0 77.66 77
  243.1 93.81 93
  243.2 100.0 99
  243.3 95.43 95
  243.4 80.4 80
  243.5 55.67 55
  243.6 27.26 27
  243.7 5.55 5
  243.8 0.0 0
//