MassBank Record: JP002868



 ALLANTOIN; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002868
RECORD_TITLE: ALLANTOIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ALLANTOIN CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H6N4O3 CH$EXACT_MASS: 158.04399 CH$SMILES: NC(=O)NC(N1)C(=O)NC(=O)1 CH$IUPAC: InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9100000000-5f4cd23ea44234e5a455 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 16 13.17 132 17 47.01 470 27 4.14 41 29 13.5 135 30 4.51 45 42 7.76 78 43 35.77 358 44 99.99 999 45 7.24 72 55 3.72 37 60 29.47 295 70 6.42 64 71 2.42 24 87 29.76 298 100 3.04 30 114 4.69 47 115 9.91 99 130 25.95 260 141 3.35 34 //