MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002944
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002944
RECORD_TITLE: ACETALDEHYDE CYANOHYDRIN; 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$NAME: ACETALDEHYDE CYANOHYDRIN
CH$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$LINK: INCHIKEY
WOFDVDFSGLBFAC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6025432
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: splash10-004i-9000000000-8b81539a7e6604c97e5a
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
13 4.58 46
14 15.99 160
15 34.6 346
16 4.24 42
25 2.73 27
26 23.3 233
27 99.99 999
29 85.55 856
41 3.39 34
42 11.32 113
43 30.18 302
44 51.18 512
45 3.04 30
56 5.28 53
//