MassBank Record: MSBNK-RIKEN_NPDepo-NGA01371
ACCESSION: MSBNK-RIKEN_NPDepo-NGA01371
RECORD_TITLE: Galantamine; 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, Benzazepines
CH$NAME: Galantamine
CH$COMPOUND_CLASS: Benzopyranoids
CH$FORMULA: C17H21NO3
CH$EXACT_MASS: 287.3618
CH$SMILES: COc1ccc2c3c1OC1CC(O)C=C[C@@]31CCN(C)C2
CH$IUPAC: InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12?,14?,17-/m0/s1
CH$LINK: CAS
357-70-0
CH$LINK: CHEMSPIDER
9272
CH$LINK: INCHIKEY
ASUTZQLVASHGKV-AJUCZRQESA-N
CH$LINK: PUBCHEM
CID:16757785
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: splash10-03di-0090000000-9fbf4cff3a093766b53a
PK$NUM_PEAK: 125
PK$PEAK: m/z int. rel.int.
57.5 1.58 1
57.6 2.56 2
57.7 4.52 4
57.8 7.64 7
57.9 11.26 11
58.0 14.17 14
58.1 15.43 15
58.2 14.77 14
58.3 12.23 12
58.4 8.25 8
58.5 3.92 3
196.7 2.86 2
196.8 4.52 4
196.9 6.42 6
197.0 8.0 7
197.1 8.86 8
197.2 9.03 9
197.3 8.66 8
197.4 7.57 7
197.8 5.16 5
197.9 7.27 7
198.0 8.89 8
198.1 9.7 9
198.2 9.72 9
198.3 8.7 8
198.4 6.51 6
198.8 3.14 3
198.9 4.57 4
199.0 5.82 5
199.1 6.51 6
199.2 6.4 6
199.3 5.37 5
199.4 3.59 3
202.7 2.12 2
202.8 3.33 3
202.9 4.62 4
203.0 5.58 5
203.1 5.95 5
203.2 5.81 5
203.3 5.24 5
203.4 4.16 4
203.5 2.58 2
208.6 2.0 1
208.7 3.63 3
208.8 6.35 6
208.9 9.59 9
209.0 12.17 12
209.1 13.34 13
209.2 13.09 13
209.3 11.59 11
209.4 8.85 8
209.5 5.29 5
209.6 2.12 2
212.2 1.48 1
212.3 2.92 2
212.4 5.58 5
212.5 9.55 9
212.6 15.8 15
212.7 27.2 27
212.8 45.74 45
212.9 68.44 68
213.0 88.12 88
213.1 99.08 98
213.2 100.0 99
213.3 90.75 90
213.4 70.53 70
213.5 42.22 42
213.6 15.22 15
213.7 0.04 0
224.4 2.55 2
224.5 3.91 3
224.6 5.69 5
224.7 8.84 8
224.8 14.17 14
224.9 20.82 20
225.0 26.44 26
225.1 29.1 29
225.2 28.6 28
225.3 25.36 25
225.4 19.47 19
225.5 11.72 11
225.6 4.49 4
230.3 0.73 0
230.4 2.29 2
230.5 4.98 4
230.6 8.46 8
230.7 13.49 13
230.8 21.92 21
230.9 33.91 33
231.0 45.99 45
231.1 53.36 53
231.2 53.46 53
231.3 46.35 46
231.4 33.35 33
231.5 17.79 17
231.6 4.95 4
231.7 0.0 0
269.5 1.65 1
269.6 2.9 2
269.7 5.58 5
269.8 10.45 10
269.9 16.88 16
270.0 23.0 22
270.1 27.2 27
270.2 28.8 28
270.3 27.15 27
270.4 21.56 21
270.5 12.97 12
270.6 4.67 4
270.7 0.35 0
287.3 1.27 1
287.4 2.67 2
287.5 4.61 4
287.6 7.63 7
287.7 13.22 13
287.8 22.99 22
287.9 36.83 36
288.0 51.81 51
288.1 63.34 63
288.2 67.55 67
288.3 62.6 62
288.4 48.85 48
288.5 29.73 29
288.6 11.66 11
288.7 0.99 0
//
system version 2.2.4-SNAPSHOT