MassBank Record: BS002037



 HexA-dhex-Pen-Pen-Pen-Zanhic acid (PUT); LC-ESI-QTOF; MS 
Mass Spectrum
Chemical Structure

ACCESSION: BS002037
RECORD_TITLE: HexA-dhex-Pen-Pen-Pen-Zanhic acid (PUT); LC-ESI-QTOF; MS
DATE: 2017.12.01 (2014.12.12)
AUTHORS: , Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LICENSE: CC BY-NC-SA 4.0 International

CH$NAME: HexA-dhex-Pen-Pen-Pen-Zanhic acid (PUT) CH$COMPOUND_CLASS: Natural Product; N/A CH$FORMULA: C57H88O29 CH$EXACT_MASS: 1236.5411 CH$SMILES: N/A CH$IUPAC: N/A
AC$INSTRUMENT: Bruker impact HD AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.014 AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1500 AC$CHROMATOGRAPHY: COLUMN_NAME Waters Acquity BEH C18 1.7um x 2.1 x 150 mm AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 20/80 at 35 min; 5/95 at 35 min, 5/95 at 38 min; 95/5 at 38.1 min, 95/5 at 45 min AC$CHROMATOGRAPHY: FLOW_RATE FLOW_RATE 560 uL / min AC$CHROMATOGRAPHY: SOLVENT A water with 0.05% formic acid AC$CHROMATOGRAPHY: SOLVENT B acetonitrile with 0.05 % formic acid AC$CHROMATOGRAPHY: RETENTION_TIME 665.4 sec
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)
PK$SPLASH: splash10-00kr-0290003000-60542531995e4fc6d7d7 PK$NUM_PEAK: 49 PK$PEAK: m/z int. rel.int. 309.1021 27 27 313.0716 19 19 545.2177 12 12 566.2496 17 17 617.2654 515 515 617.7655 344 344 618.2683 136 136 618.7712 51 51 640.2628 15 15 647.3026 13 13 647.8149 11 11 1103.5626 87 87 1104.5648 35 35 1105.5729 30 30 1149.5651 54 54 1150.5724 42 42 1165.5643 40 40 1166.5668 15 15 1167.5712 11 11 1169.5529 75 75 1170.0559 95 95 1170.5551 59 59 1171.0519 47 47 1171.5372 41 41 1177.5308 12 12 1178.0586 11 11 1178.5388 15 15 1184.5122 33 33 1185.0233 36 36 1185.5189 41 41 1186.0236 22 22 1235.5333 999 999 1236.0371 95 95 1236.5370 664 664 1237.0344 41 41 1237.5366 279 279 1238.5417 96 96 1239.5298 28 28 1246.5146 26 26 1247.0219 13 13 1257.5139 108 108 1258.5176 83 83 1259.5162 29 29 1289.4580 34 34 1319.4724 19 19 1325.5007 40 40 1335.4620 38 38 1336.4641 38 38 1356.4165 10 10 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)