MassBank Record: MSBNK-RIKEN_NPDepo-CB000100
ACCESSION: MSBNK-RIKEN_NPDepo-CB000100
RECORD_TITLE: Magnoflorine; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids
CH$NAME: Magnoflorine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C20H24NO4+
CH$EXACT_MASS: 342.4186
CH$SMILES: COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1C(C2)[N+](C)(C)CC3
CH$IUPAC: InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1
CH$LINK: CAS
2141-09-5
CH$LINK: CHEMSPIDER
3859 66066
CH$LINK: INCHIKEY
YLRXAIKMLINXQY-UHFFFAOYSA-O
CH$LINK: PUBCHEM
CID:3999
AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
PK$SPLASH: splash10-0006-0049000000-2f6b2f112f6bb4aa36bc
PK$NUM_PEAK: 119
PK$PEAK: m/z int. rel.int.
134.8000 103098.2656 24
236.6000 128872.8516 30
236.7000 136987.0469 32
236.8000 139373.5781 32
236.9000 183922.2188 43
237.0000 169921.2656 40
237.1000 149397.0469 35
237.2000 156874.8281 37
237.4000 136987.0469 32
264.4000 101189.0391 23
264.5000 365776.1250 87
264.6000 448032.0000 107
264.7000 672047.9375 162
264.8000 718346.7500 173
264.9000 700049.9375 168
265.0000 602997.5625 145
265.1000 943635.6250 228
265.2000 648341.7500 156
265.3000 454555.1563 109
265.4000 273496.8125 65
265.5000 262041.4531 62
265.6000 130304.7578 30
265.7000 137623.4531 32
265.8000 180103.7656 42
265.9000 136191.5313 32
266.0000 185672.3594 44
266.1000 200468.8438 47
266.2000 136191.5313 32
266.3000 145101.2500 34
266.4000 109621.4688 25
267.0000 143351.1250 33
267.1000 122508.7500 28
279.3000 91324.7031 21
281.4000 241835.4844 57
281.5000 94506.7422 21
281.6000 157988.5625 37
281.7000 178512.7500 42
281.8000 192831.9531 45
281.9000 164352.6406 38
282.0000 158465.8594 37
282.1000 206514.7500 49
282.2000 135236.9375 31
282.3000 193309.2656 45
282.4000 137305.2500 32
296.4000 265382.5938 63
296.5000 786760.6875 189
296.6000 1181493.5000 285
296.7000 1275841.1250 308
296.8000 1241634.1250 300
296.9000 1297001.7500 313
297.0000 1230178.7500 297
297.1000 1271386.1250 307
297.2000 1076486.1250 260
297.3000 1093510.1250 264
297.4000 811421.6875 195
297.5000 420507.3125 101
297.6000 248517.7656 59
297.7000 233880.3438 55
297.8000 282406.5000 67
297.9000 305317.2813 73
298.0000 318204.5313 76
298.1000 199514.2344 47
298.2000 206514.7500 49
298.3000 212719.7344 50
298.4000 212242.4219 50
298.5000 190604.5156 45
298.6000 199036.9375 47
298.7000 267610.0625 63
298.8000 168807.5313 39
298.9000 210969.6094 50
299.0000 213037.9063 50
299.1000 267132.7188 63
299.2000 206514.7500 49
299.3000 205719.2344 48
299.4000 156556.6406 36
310.6000 94188.5547 21
340.5000 101189.0391 23
340.6000 121554.1250 28
340.7000 184717.7344 43
340.8000 150192.5625 35
340.9000 141760.1250 33
341.0000 198241.4219 47
341.1000 170716.7656 40
341.2000 183285.8125 43
341.3000 218765.6094 52
341.4000 1255635.1250 303
341.5000 2345644.7500 568
341.6000 3633100.2500 880
341.7000 4038016.5000 978
341.8000 3748926.7500 908
341.9000 4088769.0000 991
342.0000 4120430.7500 999
342.1000 4080337.0000 989
342.2000 3875254.5000 939
342.3000 3511705.2500 851
342.4000 3149588.7500 763
342.5000 1373211.8750 332
342.6000 1190880.5000 288
342.7000 1471218.7500 356
342.8000 1057870.8750 255
342.9000 1243702.3750 300
343.0000 1114988.6250 269
343.1000 1133762.6250 274
343.2000 1160173.6250 280
343.3000 1096214.8750 265
343.4000 1349187.2500 326
343.5000 402528.7188 96
343.6000 277156.1250 66
343.7000 270951.1563 64
343.8000 157670.3438 37
343.9000 200627.9688 47
344.0000 250426.9688 59
344.1000 201582.5781 47
344.2000 138259.8594 32
344.3000 124099.7734 29
344.4000 208423.9844 49
355.9000 110735.1797 25
374.0000 102939.1719 23
374.2000 101348.1484 23
//