ACCESSION: MSBNK-RIKEN_NPDepo-CB000236
RECORD_TITLE: Meranzin; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Coumarins
CH$NAME: Meranzin
CH$COMPOUND_CLASS: Benzopyranoids
CH$FORMULA: C15H16O4
CH$EXACT_MASS: 260.2924
CH$SMILES: COc1ccc2ccc(=O)oc2c1CC1OC1(C)C
CH$IUPAC: InChI=1S/C15H16O4/c1-15(2)12(19-15)8-10-11(17-3)6-4-9-5-7-13(16)18-14(9)10/h4-7,12H,8H2,1-3H3
CH$LINK: CAS
489-53-2
CH$LINK: CHEMSPIDER
3045741 1411306
CH$LINK: INCHIKEY
LSZONYLDFHGRDP-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:3819217
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$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0940000000-d452b367d38b51ac55a5
PK$NUM_PEAK: 130
PK$PEAK: m/z int. rel.int.
102.5000 382924.6875 36
102.6000 536053.8125 51
102.7000 699995.8125 67
102.8000 626951.7500 60
102.9000 680568.0625 65
103.0000 649689.8750 62
103.1000 639107.6875 61
103.2000 573376.3125 55
103.3000 488230.6563 46
103.4000 455018.9688 43
130.4000 1791666.8750 175
130.5000 3385393.2500 331
130.6000 4123607.0000 404
130.7000 4342277.5000 425
130.8000 4421521.0000 433
130.9000 4422784.0000 433
131.0000 4387672.5000 430
131.1000 4148570.0000 406
131.2000 3873922.0000 379
131.3000 3513369.2500 344
131.4000 3072772.0000 300
131.5000 1406435.8750 137
131.6000 621172.2500 60
131.7000 560189.3125 54
131.8000 592966.7500 57
131.9000 648726.6875 62
132.0000 657178.7500 63
132.1000 555888.5625 53
132.2000 534371.5625 51
132.3000 474623.1250 45
132.4000 415770.0000 39
132.5000 268840.9063 25
158.4000 331736.9063 31
158.5000 500861.3750 48
158.6000 662876.9375 64
158.7000 775671.7500 75
158.8000 786308.1250 76
158.9000 718283.9375 69
159.0000 711269.8125 68
159.1000 638632.8125 61
159.2000 612394.5625 59
159.3000 494688.4688 47
159.4000 428346.5625 41
160.4000 353145.3750 33
160.5000 545008.0000 52
160.6000 602599.3125 58
160.7000 648550.2500 62
160.8000 638565.0625 61
160.9000 597091.1250 57
161.0000 585545.6875 56
161.1000 639202.6875 61
161.2000 616437.4375 59
161.3000 443622.7813 42
161.4000 423394.6250 40
188.2000 389599.5313 37
188.3000 3163819.0000 309
188.4000 7834699.0000 768
188.5000 9479559.0000 930
188.6000 9951740.0000 977
188.7000 10175364.0000 999
188.8000 10009954.0000 982
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189.0000 9759729.0000 958
189.1000 9235384.0000 906
189.2000 9061483.0000 889
189.3000 8563715.0000 840
189.4000 7686332.5000 754
189.5000 4182174.5000 410
189.6000 3072703.7500 300
189.7000 2865524.5000 280
189.8000 2865022.2500 280
189.9000 2985781.2500 292
190.0000 2804215.7500 274
190.1000 2713766.0000 265
190.2000 2527994.7500 247
190.3000 2211669.7500 216
190.4000 1754412.1250 171
190.5000 697906.5000 67
190.6000 457257.5000 43
190.7000 398146.6563 38
190.8000 392543.5625 37
190.9000 366440.9375 35
191.0000 354963.3750 33
191.1000 370266.7813 35
191.2000 354447.8125 33
191.3000 314235.6250 29
191.4000 292555.8125 27
202.9000 240282.6719 22
218.5000 225833.9531 21
218.6000 302866.6250 28
218.7000 280711.8750 26
218.8000 333188.5313 31
218.9000 300465.2813 28
219.0000 306258.3438 29
219.1000 286410.0000 27
219.2000 276967.4375 26
219.3000 284985.4688 27
219.4000 268759.5313 25
244.3000 834579.0000 81
244.4000 4126999.0000 404
244.5000 6779387.0000 665
244.6000 7540475.0000 740
244.7000 7649281.5000 750
244.8000 7854494.5000 770
244.9000 7577011.0000 743
245.0000 7396585.5000 725
245.1000 7412391.0000 727
245.2000 7093352.0000 696
245.3000 6949842.0000 682
245.4000 6461584.0000 634
245.5000 3833709.7500 375
245.6000 3054144.7500 299
245.7000 2612963.7500 255
245.8000 2374051.5000 232
245.9000 2775522.0000 271
246.0000 2520573.5000 246
246.1000 2130485.5000 208
246.2000 1931012.0000 188
246.3000 1760978.6250 172
246.4000 1666594.0000 162
246.5000 739733.1250 71
246.6000 499898.0938 48
246.7000 392801.3438 37
246.8000 323216.9063 30
246.9000 310708.2500 29
247.0000 331709.7813 31
247.1000 292270.8750 27
247.2000 307316.5313 29
247.3000 324831.3438 30
247.4000 261284.1563 24
//
