MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011051
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011051
RECORD_TITLE: ACROLEIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ACROLEIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H4O
CH$EXACT_MASS: 56.02621
CH$SMILES: C=CC=O
CH$IUPAC: InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
CH$LINK: CAS
107-02-8
CH$LINK: INCHIKEY
HGINCPLSRVDWNT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5020023
AC$INSTRUMENT: HITACHI M-80
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-a667e77a9d666459b411
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
13 1.25 13
14 1.34 13
24 1.24 12
25 7.4 74
26 62.29 623
27 99.99 999
28 36.07 361
29 42.18 422
30 1.07 11
36 1.03 10
37 4.33 43
38 4.85 49
39 6.19 62
53 3.2 32
55 31.55 316
56 38.69 387
57 4.29 43
//