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MassBank Record: MSBNK-RIKEN_NPDepo-NGA03131

Huperzine A; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_NPDepo-NGA03131
RECORD_TITLE: Huperzine A; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-0006-0090000000-2c2b13232e2d595044ec
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  225.4 1.01 1
  225.5 2.64 2
  225.6 5.16 5
  225.7 8.82 8
  225.8 13.91 13
  225.9 20.04 20
  226.0 25.7 25
  226.1 29.26 29
  226.2 30.0 29
  226.3 27.86 27
  226.4 22.65 22
  226.5 14.83 14
  226.6 6.63 6
  226.7 1.09 1
  242.3 0.33 0
  242.4 1.6 1
  242.5 5.36 5
  242.6 12.0 11
  242.7 22.57 22
  242.8 38.96 38
  242.9 60.67 60
  243.0 82.22 82
  243.1 96.49 96
  243.2 100.0 99
  243.3 92.81 92
  243.4 75.31 75
  243.5 49.52 49
  243.6 22.54 22
  243.7 4.21 4
//

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