MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002868

ALLANTOIN; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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)
CH$LINK: INCHIKEY POJWUDADGALRAB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3020043

---

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
//