MassBank Record: MSBNK-RIKEN_NPDepo-NGA03129
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
//
