ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003713
RECORD_TITLE: METHANETRICARBALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: METHANETRICARBALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₄O₃
CH$EXACT_MASS: 100.01604
CH$SMILES: O=CC(C=O)C=O
CH$IUPAC: InChI=1S/C4H4O3/c5-1-4(2-6)3-7/h1-4H
CH$LINK: INCHIKEY WRWNFZAKUHZONV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00338895

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$SPLASH: splash10-0fk9-9100000000-9e4888c094716d2c532e
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  40 3.6 36
  41 13 130
  42 26.1 261
  43 2.39 24
  44 4.3 43
  45 2.2 22
  52 2.2 22
  53 3.41 34
  54 32.6 326
  55 9.4 94
  68 2.5 25
  69 0.87 9
  70 4.3 43
  71 36.2 362
  72 99.99 999
  73 0.79 8
  99 1.4 14
  100 41.3 413
  101 2.9 29
//