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
//