ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008265
RECORD_TITLE: ACETALDEHYDE CYANOHYDRIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: ACETALDEHYDE CYANOHYDRIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₅NO
CH$EXACT_MASS: 71.03711
CH$SMILES: N#CC(C)O
CH$IUPAC: InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3
CH$LINK: CAS 78-97-7
CH$LINK: INCHIKEY WOFDVDFSGLBFAC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6025432

AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004i-9000000000-f6226616b0e6db1a9858
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  13 4.58 46
  14 15.99 160
  15 34.6 346
  16 4.24 42
  22 1.77 18
  25 2.73 27
  26 23.3 233
  27 99.99 999
  29 85.55 856
  30 0.62 6
  40 0.74 7
  41 3.39 34
  42 11.32 113
  43 30.18 302
  44 51.18 512
  45 3.04 30
  56 5.28 53
  70 0.43 4
//