MassBank Record: MSBNK-RIKEN_NPDepo-NGA00972
ACCESSION: MSBNK-RIKEN_NPDepo-NGA00972
RECORD_TITLE: Tazettine; 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: Isoquinoline alkaloids, Amaryllidaceae alkaloids
CH$NAME: Tazettine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C18H21NO5
CH$EXACT_MASS: 331.3718
CH$SMILES: CO[C@@H]1C=C[C@@]23c4cc5c(cc4CO[C@]2(O)CN(C)[C@@H]3C1)OCO5
CH$IUPAC: InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3/t12-,16-,17+,18-/m1/s1
CH$LINK: CAS
507-79-9
CH$LINK: CHEMSPIDER
4479445
CH$LINK: INCHIKEY
YLWAQARRNQVEHD-GQAVTEOGSA-N
CH$LINK: PUBCHEM
CID:11873227
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: splash10-001i-0892000000-c21e3813523b3c4b0980
PK$NUM_PEAK: 186
PK$PEAK: m/z int. rel.int.
69.7 2.43 2
69.8 3.71 3
69.9 4.98 4
70.0 6.03 6
70.1 6.68 6
70.2 6.75 6
70.3 6.08 6
70.4 4.71 4
119.7 2.32 2
119.8 3.94 3
119.9 5.72 5
120.0 7.02 7
120.1 7.58 7
120.2 7.48 7
120.3 6.69 6
120.4 5.1 5
120.5 3.0 2
148.7 1.8 1
148.8 3.07 3
148.9 4.4 4
149.0 5.31 5
149.1 5.59 5
149.2 5.32 5
149.3 4.58 4
149.4 3.36 3
152.7 2.78 2
152.8 4.53 4
152.9 6.53 6
153.0 8.03 8
153.1 8.58 8
153.2 8.34 8
153.3 7.66 7
153.4 6.39 6
153.5 4.29 4
153.6 1.85 1
174.7 2.91 2
174.8 4.48 4
174.9 6.18 6
175.0 7.45 7
175.1 7.89 7
175.2 7.39 7
175.3 6.0 5
175.4 3.96 3
175.5 1.84 1
180.2 0.63 0
180.3 2.23 2
180.4 5.23 5
180.5 9.79 9
180.6 17.51 17
180.7 31.14 31
180.8 51.15 51
180.9 73.31 73
181.0 91.0 90
181.1 100.0 99
181.2 99.51 99
181.3 88.91 88
181.4 67.34 67
181.5 38.58 38
181.6 12.72 12
181.7 0.0 0
205.8 2.77 2
205.9 4.05 4
206.0 5.23 5
206.1 6.0 5
206.2 6.17 6
206.3 5.57 5
206.4 4.12 4
206.5 2.23 2
210.5 2.86 2
210.6 4.45 4
210.7 7.2 7
210.8 11.25 11
210.9 16.04 16
211.0 20.36 20
211.1 22.86 22
211.2 22.79 22
211.3 19.93 19
211.4 14.52 14
211.5 7.84 7
211.6 2.26 2
223.7 2.78 2
223.8 4.88 4
223.9 7.77 7
224.0 10.56 10
224.1 12.43 12
224.2 12.88 12
224.3 11.71 11
224.4 9.06 9
224.5 5.62 5
225.8 3.81 3
225.9 5.91 5
226.0 7.57 7
226.1 8.29 8
226.2 8.04 8
226.3 6.84 6
226.4 4.78 4
226.5 2.43 2
233.7 2.05 2
233.8 3.38 3
233.9 5.04 5
234.0 6.53 6
234.1 7.48 7
234.2 7.66 7
234.3 6.88 6
234.4 5.07 5
234.5 2.73 2
237.8 3.17 3
237.9 4.59 4
238.0 5.85 5
238.1 6.52 6
238.2 6.44 6
238.3 5.6 5
239.6 6.22 6
239.7 8.28 8
239.8 13.0 12
239.9 19.55 19
240.0 25.93 25
240.1 30.0 29
240.2 30.32 30
240.3 26.54 26
240.4 19.5 19
240.5 11.19 11
240.6 4.27 4
253.6 1.53 1
253.7 2.8 2
253.8 4.87 4
253.9 7.35 7
254.0 9.51 9
254.1 10.67 10
254.2 10.71 10
254.3 9.76 9
254.4 7.8 7
254.5 4.97 4
254.6 2.09 2
255.8 3.08 3
255.9 4.56 4
256.0 5.8 5
256.1 6.52 6
256.2 6.72 6
256.3 6.26 6
256.4 4.91 4
256.5 2.9 2
263.6 1.84 1
263.7 2.98 2
263.8 4.75 4
263.9 6.99 6
264.0 9.21 9
264.1 10.85 10
264.2 11.36 11
264.3 10.27 10
264.4 7.51 7
264.5 3.95 3
270.6 2.42 2
270.7 3.66 3
270.8 6.48 6
270.9 10.65 10
271.0 14.89 14
271.1 17.56 17
271.2 17.96 17
271.3 16.28 16
271.4 12.82 12
271.5 8.03 8
271.6 3.25 3
281.7 2.11 2
281.8 3.77 3
281.9 5.75 5
282.0 7.33 7
282.1 8.05 8
282.2 7.97 7
282.3 7.15 7
282.4 5.49 5
282.5 3.16 3
313.4 1.43 1
313.5 2.59 2
313.6 4.37 4
313.7 7.88 7
313.8 14.25 14
313.9 23.23 23
314.0 32.68 32
314.1 39.89 39
314.2 43.27 43
314.3 41.97 41
314.4 35.08 35
314.5 23.18 23
314.6 10.19 10
314.7 1.28 1
//