ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008334
RECORD_TITLE: BETA-CYANOETHANOL; 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$NAME: BETA-CYANOETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₅NO
CH$EXACT_MASS: 71.03711
CH$SMILES: N#CCCO
CH$IUPAC: InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2
CH$LINK: INCHIKEY WSGYTJNNHPZFKR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1025433

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$SPLASH: splash10-001l-9000000000-7071703d473a0f75531d
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  14 3.55 36
  15 14.87 149
  17 2.12 21
  18 7.63 76
  26 3.86 39
  27 4.25 43
  28 4.55 46
  29 14.49 145
  30 1.76 18
  31 99.99 999
  38 1.63 16
  39 2.52 25
  40 6.31 63
  41 68.95 690
  42 8 80
  43 2.86 29
  45 2.74 27
  51 2.25 23
  52 2.69 27
  59 1.85 19
//