MassBank Record: MSBNK-RIKEN_NPDepo-NGA01048
ACCESSION: MSBNK-RIKEN_NPDepo-NGA01048
RECORD_TITLE: Cryptopine; 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: Alkaloids derived from anthranilic acid, Cryptolepine-type alkaloids
CH$NAME: Cryptopine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C21H23NO5
CH$EXACT_MASS: 369.4212
CH$SMILES: COc1cc2c(cc1OC)C(=O)Cc1ccc3c(c1CN(C)CC2)OCO3
CH$IUPAC: InChI=1S/C21H23NO5/c1-22-7-6-14-9-19(24-2)20(25-3)10-15(14)17(23)8-13-4-5-18-21(16(13)11-22)27-12-26-18/h4-5,9-10H,6-8,11-12H2,1-3H3
CH$LINK: CAS
482-74-6
CH$LINK: CHEMSPIDER
65491
CH$LINK: INCHIKEY
XPOJSWHIKCNLEQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40197463
CH$LINK: PUBCHEM
CID:72616
AC$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$SPLASH: splash10-0uxr-0693000000-10d7ef16fd7ae4f55b2c
PK$NUM_PEAK: 184
PK$PEAK: m/z int. rel.int.
148.5 2.02 2
148.6 3.82 3
148.7 6.58 6
148.8 9.79 9
148.9 12.6 12
149.0 14.43 14
149.1 15.17 15
149.2 14.91 14
149.3 13.55 13
149.4 10.84 10
149.5 7.23 7
149.8 4.75 4
149.9 7.1 7
150.0 8.81 8
150.1 9.23 9
150.2 8.41 8
150.3 6.66 6
150.4 4.39 4
164.3 1.59 1
164.4 3.76 3
164.5 7.11 7
164.6 12.76 12
164.7 22.99 22
164.8 38.51 38
164.9 55.86 55
165.0 69.35 69
165.1 75.88 75
165.2 75.9 75
165.3 69.59 69
165.4 55.32 55
165.5 34.19 34
165.6 13.18 13
165.7 0.92 0
174.6 2.48 2
174.7 3.89 3
174.8 6.12 6
174.9 8.48 8
175.0 10.05 10
175.1 10.54 10
175.2 10.15 10
175.3 8.8 8
175.4 6.3 6
175.5 3.23 3
189.4 3.02 3
189.5 4.03 4
189.6 5.88 5
189.7 9.65 9
189.8 15.76 15
189.9 23.08 23
190.0 29.48 29
190.1 33.26 33
190.2 33.52 33
190.3 29.61 29
190.4 21.58 21
190.5 11.55 11
190.6 3.33 3
192.6 1.96 1
192.7 3.16 3
192.8 5.36 5
192.9 8.11 8
193.0 10.37 10
193.1 11.36 11
193.2 11.07 11
193.3 9.95 9
193.4 8.14 8
193.5 5.69 5
193.8 3.36 3
193.9 5.47 5
194.0 7.26 7
194.1 7.99 7
194.2 7.81 7
194.3 6.9 6
194.4 5.22 5
194.5 2.99 2
203.2 1.59 1
203.3 3.01 3
203.4 5.71 5
203.5 9.67 9
203.6 16.11 16
203.7 28.01 27
203.8 47.13 47
203.9 70.14 70
204.0 89.67 89
204.1 100.0 99
204.2 99.98 99
204.3 90.28 90
204.4 71.46 71
204.5 46.99 46
204.6 25.29 25
204.8 21.18 21
204.9 37.49 37
205.0 55.15 55
205.1 66.29 66
205.2 68.48 68
205.3 62.89 62
205.4 50.49 50
205.5 32.84 32
205.6 15.14 15
205.7 3.97 3
205.9 3.7 3
206.0 6.48 6
206.1 7.85 7
206.2 8.0 7
206.3 7.24 7
206.4 5.59 5
206.5 3.32 3
221.6 2.96 2
221.7 4.83 4
221.8 7.73 7
221.9 11.23 11
222.0 14.3 14
222.1 16.0 15
222.2 15.98 15
222.3 14.32 14
222.4 11.11 11
222.5 6.76 6
222.6 2.62 2
262.6 1.77 1
262.7 2.91 2
262.8 4.56 4
262.9 6.58 6
263.0 8.44 8
263.1 9.5 9
263.2 9.46 9
263.3 8.25 8
263.4 6.01 6
263.5 3.26 3
289.8 2.2 2
289.9 3.55 3
290.0 4.71 4
290.1 5.19 5
290.2 4.9 4
290.3 4.15 4
290.4 3.35 3
290.5 2.85 2
290.6 3.01 3
290.7 4.27 4
290.8 6.81 6
290.9 10.14 10
291.0 13.18 13
291.1 14.87 14
291.2 14.7 14
291.3 12.54 12
291.4 8.72 8
291.5 4.39 4
310.8 2.34 2
310.9 3.5 3
311.0 4.59 4
311.1 5.34 5
311.2 5.71 5
311.3 5.55 5
311.4 4.57 4
311.5 2.79 2
320.8 2.85 2
320.9 4.65 4
321.0 6.76 6
321.1 8.42 8
321.2 8.96 8
321.3 8.09 8
321.4 6.04 6
321.5 3.45 3
351.7 1.81 1
351.8 2.99 2
351.9 4.61 4
352.0 6.18 6
352.1 7.25 7
352.2 7.66 7
352.3 7.33 7
352.4 5.95 5
352.5 3.6 3
369.4 1.61 1
369.5 3.52 3
369.6 6.45 6
369.7 11.37 11
369.8 19.78 19
369.9 31.99 31
370.0 45.6 45
370.1 56.44 56
370.2 60.91 60
370.3 57.2 57
370.4 45.3 45
370.5 28.03 28
370.6 11.32 11
370.7 1.29 1
//
system version 2.2.4-SNAPSHOT