MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000947
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000947
RECORD_TITLE: ACROLEIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: ACROLEIN
CH$NAME: 2-PROPENAL
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$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0a4i-9000000000-f6aba25388da7855f3eb
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
24 2.1 21
25 8.3 83
26 44.5 445
27 6.62 66
28 3.3 33
29 37.7 377
36 4 40
37 1.13 11
38 9.3 93
39 7.1 71
52 2.6 26
53 0.86 9
55 64.9 649
56 99.99 999
57 5.3 53
//