MassBank Record: MSBNK-RIKEN_NPDepo-CB000242
ACCESSION: MSBNK-RIKEN_NPDepo-CB000242
RECORD_TITLE: norbraylin; 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$NAME: norbraylin
CH$COMPOUND_CLASS: Benzopyranoids
CH$FORMULA: C14H12O4
CH$EXACT_MASS: 244.2493
CH$SMILES: CC1(C)Oc2ccc3ccc(=O)oc3c2CC1=O
CH$IUPAC: InChI=1S/C14H12O4/c1-14(2)11(15)7-9-10(18-14)5-3-8-4-6-12(16)17-13(8)9/h3-6H,7H2,1-2H3
CH$LINK: CAS
60796-64-7
CH$LINK: CHEMSPIDER
8281390
CH$LINK: INCHIKEY
UKSKSIFYCHCZDG-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:759294
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: splash10-0005-0190000000-b34bbbfce4b052f8ae8d
PK$NUM_PEAK: 98
PK$PEAK: m/z int. rel.int.
128.1000 183315.4375 24
146.5000 200409.6406 27
149.2000 383887.9375 52
174.4000 620439.7500 86
174.5000 915112.0625 127
174.6000 856665.8750 119
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175.3000 986419.4375 137
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175.5000 234760.9844 31
175.8000 201874.9063 27
175.9000 173872.8906 23
176.1000 171268.0469 23
176.2000 186245.8594 25
176.3000 363374.8125 50
176.4000 370212.5625 50
216.4000 176803.3281 23
216.5000 196990.7813 26
216.6000 223690.4375 30
216.7000 313720.1563 43
216.8000 314859.7813 43
216.9000 325116.2500 44
217.0000 337652.0625 46
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226.6000 269600.6563 36
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276.6000 158081.0625 21
285.5000 183803.8594 24
285.6000 286043.6563 39
285.7000 434519.4375 60
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488.9000 168663.2031 22
489.0000 226458.0625 30
489.1000 209038.2188 28
489.2000 198944.4219 26
489.3000 164267.5625 22
//
system version 2.2.8-SNAPSHOT