ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002902
RECORD_TITLE: BETA-CYANOETHANOL; 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$NAME: BETA-CYANOETHANOL
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001l-9000000000-bf7c9900fcda700e76f2
PK$NUM_PEAK: 17
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
  31 99.99 999
  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
//