ACCESSION: MSBNK-RIKEN_NPDepo-CB000090
RECORD_TITLE: Sanguinarine; 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$NAME: Sanguinarine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C20H14NO4+
CH$EXACT_MASS: 332.3389
CH$SMILES: C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3
CH$IUPAC: InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
CH$LINK: CAS
2447-54-3
CH$LINK: CHEMSPIDER
4970
CH$LINK: INCHIKEY
INVGWHRKADIJHF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0045204
CH$LINK: PUBCHEM
CID:5154
AC$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$SPLASH: splash10-001i-0009000000-a411377f518aae08779d
PK$NUM_PEAK: 147
PK$PEAK: m/z int. rel.int.
245.4000 218216.5156 22
245.5000 366359.5000 38
245.6000 434236.8750 46
245.7000 428814.8750 45
245.8000 495971.7188 52
245.9000 498511.1250 53
246.0000 451497.9063 47
246.1000 454998.1563 48
246.2000 428368.8438 45
246.3000 391410.3438 41
246.4000 425898.0625 45
246.5000 226315.1875 23
273.4000 609421.0000 65
273.5000 839099.1875 89
273.6000 1157381.6250 124
273.7000 1103779.7500 118
273.8000 1150689.8750 123
273.9000 1071042.1250 115
274.0000 1078866.0000 115
274.1000 1053952.7500 113
274.2000 1059477.5000 113
274.3000 937037.3750 100
274.4000 700015.6875 74
274.5000 402391.4688 42
274.6000 458704.3750 48
274.7000 382350.8438 40
274.8000 307987.6875 32
274.9000 311934.0625 32
275.0000 308776.9688 32
275.1000 310767.2188 32
275.2000 304899.2188 32
275.3000 300438.0938 31
275.4000 339455.6250 35
275.5000 270342.8125 28
275.6000 300506.7813 31
275.7000 289868.7500 30
275.8000 364849.5938 38
275.9000 390655.3125 41
276.0000 286643.0000 30
276.1000 279608.2188 29
276.2000 277583.5625 29
301.4000 336607.3438 35
301.5000 463783.1250 49
301.6000 547068.4375 58
301.7000 611891.7500 65
301.8000 636153.3125 67
301.9000 629015.5000 67
302.0000 628809.6875 67
302.1000 653414.3125 69
302.2000 601905.7500 64
302.3000 841398.2500 90
302.4000 484613.0000 51
302.5000 258949.8594 27
302.6000 264165.9688 27
302.7000 217976.3438 22
302.8000 222506.1094 23
302.9000 215539.8906 22
303.1000 231188.0469 24
303.2000 255483.9063 26
303.3000 441065.8125 46
303.4000 869640.5625 93
303.5000 1264791.2500 136
303.6000 1456069.6250 156
303.7000 1609291.3750 173
303.8000 1692336.3750 182
303.9000 1734579.7500 186
304.0000 1649681.5000 177
304.1000 1676036.3750 180
304.2000 1701293.1250 183
304.3000 1478100.5000 159
304.4000 993865.0000 106
304.5000 599537.9375 63
304.6000 446556.3750 47
304.7000 409769.4688 43
304.8000 428368.8438 45
304.9000 384684.3438 40
305.0000 408053.6875 43
305.1000 360765.9375 38
305.2000 394121.2500 41
305.3000 326449.7813 34
305.4000 224462.0938 23
316.3000 310595.7188 32
316.4000 771873.6250 82
316.5000 1127423.6250 121
316.6000 1201649.5000 129
316.7000 1215719.1250 130
316.8000 1266987.5000 136
316.9000 1465129.0000 157
317.0000 1341007.3750 144
317.1000 1112667.6250 119
317.2000 1011469.3125 108
317.3000 920840.1875 98
317.4000 571227.0625 60
317.5000 486020.0000 51
317.6000 355927.4063 37
317.7000 292476.7813 30
317.8000 259121.4531 27
317.9000 293197.3750 30
318.0000 300815.5938 31
318.1000 335715.1563 35
318.2000 240007.3438 25
318.3000 216260.5313 22
329.4000 279093.3750 29
329.5000 583203.4375 62
329.6000 625137.8125 66
329.7000 470920.8438 50
329.8000 490755.6250 52
329.9000 465670.4688 49
330.0000 516080.9688 54
330.1000 460626.0313 48
330.2000 422294.9063 44
330.3000 358501.0938 37
331.1000 232526.4063 24
331.2000 764255.5625 81
331.3000 4689031.0000 507
331.4000 8265702.5000 894
331.5000 9069353.0000 981
331.6000 8924538.0000 966
331.7000 8867677.0000 959
331.8000 8966026.0000 970
331.9000 9112797.0000 986
332.0000 9102880.0000 985
332.1000 9228374.0000 999
332.2000 8613430.0000 932
332.3000 8089902.0000 875
332.4000 5865217.5000 634
332.5000 4548232.0000 491
332.6000 4322979.5000 467
332.7000 4097660.2500 443
332.8000 4138702.7500 447
332.9000 4226037.5000 456
333.0000 4301978.5000 465
333.1000 4115505.0000 444
333.2000 3902024.2500 421
333.3000 3679037.5000 397
333.4000 2590391.0000 279
333.5000 1478924.1250 159
333.6000 1212218.8750 130
333.7000 1052785.8750 113
333.8000 988580.2500 106
333.9000 1039608.5625 111
334.0000 988100.0000 106
334.1000 1279959.0000 137
334.2000 926090.6250 99
334.3000 763260.3750 81
334.4000 433447.5625 45
334.5000 216638.0469 22
//
