MassBank Record: MSBNK-RIKEN_NPDepo-NGA03130
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
//