MassBank Record: MSBNK-RIKEN_NPDepo-NGA00963
ACCESSION: MSBNK-RIKEN_NPDepo-NGA00963
RECORD_TITLE: Cycloheximide; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Microbe
COMMENT: SubCategory_DNP: Alkaloids derived from lysine, Piperidine alkaloids
CH$NAME: Cycloheximide
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C15H23NO4
CH$EXACT_MASS: 281.162708
CH$SMILES: C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C
CH$IUPAC: InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1
CH$LINK: CAS
66-81-9
CH$LINK: CHEBI
27641
CH$LINK: CHEMSPIDER
5962
CH$LINK: COMPTOX
DTXSID6024882
CH$LINK: INCHIKEY
YPHMISFOHDHNIV-FSZOTQKASA-N
CH$LINK: KEGG
C06685
CH$LINK: PUBCHEM
CID:6197
AC$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$SPLASH: splash10-01ot-0090000000-c5bdd186702d3410eb2d
PK$NUM_PEAK: 156
PK$PEAK: m/z int. rel.int.
156.7 2.72 2
156.8 4.35 4
156.9 5.88 5
157.0 6.77 6
157.1 6.91 6
157.2 6.44 6
157.3 5.5 5
157.4 4.1 4
157.5 2.4 2
158.6 1.39 1
158.7 2.81 2
158.8 5.07 5
158.9 7.19 7
159.0 8.23 8
159.1 8.34 8
159.2 8.21 8
159.3 7.81 7
159.4 6.51 6
159.5 4.21 4
159.6 1.74 1
172.8 2.68 2
172.9 4.35 4
173.0 6.39 6
173.1 7.99 7
173.2 8.56 8
173.3 7.91 7
173.4 6.06 6
173.5 3.47 3
182.8 1.74 1
182.9 3.07 3
183.0 4.53 4
183.1 5.32 5
183.2 5.04 5
183.3 4.01 4
183.4 2.75 2
186.7 2.45 2
186.8 4.49 4
186.9 6.54 6
187.0 7.98 7
187.1 8.83 8
187.2 9.07 9
187.3 8.22 8
187.4 5.98 5
187.5 3.1 3
200.7 2.53 2
200.8 4.42 4
200.9 7.07 7
201.0 9.94 9
201.1 11.99 11
201.2 12.34 12
201.3 10.92 10
201.4 8.31 8
201.5 5.16 5
201.6 2.23 2
204.7 2.41 2
204.8 4.32 4
204.9 6.44 6
205.0 8.1 8
205.1 8.96 8
205.2 8.96 8
205.3 8.06 8
205.4 6.18 6
205.5 3.63 3
217.7 1.43 1
217.8 2.82 2
217.9 4.53 4
218.0 5.8 5
218.1 6.2 6
218.2 6.19 6
218.3 6.31 6
218.4 6.35 6
218.5 5.81 5
218.6 5.3 5
218.7 6.31 6
218.8 9.65 9
218.9 14.53 14
219.0 19.29 19
219.1 22.55 22
219.2 23.56 23
219.3 21.88 21
219.4 17.39 17
219.5 11.07 11
219.6 5.1 5
228.6 4.61 4
228.7 5.83 5
228.8 9.58 9
228.9 15.12 15
229.0 20.5 20
229.1 24.15 24
229.2 25.28 25
229.3 23.43 23
229.4 18.51 18
229.5 11.51 11
229.6 4.69 4
229.7 0.62 0
245.2 0.52 0
245.3 2.11 2
245.4 4.82 4
245.5 8.08 8
245.6 12.6 12
245.7 21.26 21
245.8 36.78 36
245.9 58.18 58
246.0 79.94 79
246.1 95.24 95
246.2 100.0 99
246.3 93.64 93
246.4 77.21 77
246.5 53.58 53
246.6 29.85 29
246.8 17.38 17
246.9 29.74 29
247.0 43.21 43
247.1 50.92 50
247.2 51.7 51
247.3 46.29 46
247.4 34.91 34
247.5 19.74 19
247.6 6.36 6
247.7 0.06 0
263.3 1.15 1
263.4 2.96 2
263.5 5.91 5
263.6 10.28 10
263.7 17.61 17
263.8 30.37 30
263.9 48.55 48
264.0 66.91 66
264.1 78.42 78
264.2 80.68 80
264.3 75.83 75
264.4 64.65 64
264.5 46.37 46
264.6 24.97 24
264.9 13.39 13
265.0 22.27 22
265.1 27.95 27
265.2 29.27 29
265.3 27.24 27
265.4 22.36 22
265.5 14.75 14
265.6 6.33 6
265.7 0.6 0
281.5 2.03 2
281.6 3.45 3
281.7 5.71 5
281.8 9.74 9
281.9 16.19 16
282.0 23.94 23
282.1 30.2 30
282.2 32.36 32
282.3 29.75 29
282.4 23.22 23
282.5 14.42 14
282.6 5.93 5
282.7 0.6 0
//