MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005869
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005869
RECORD_TITLE: PROPIONALDEHYDE; 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$NAME: PROPIONALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H6O
CH$EXACT_MASS: 58.04186
CH$SMILES: CCC=O
CH$IUPAC: InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
CH$LINK: INCHIKEY
NBBJYMSMWIIQGU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021658
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-057i-9000000000-8f67579ff6f9ff36070f
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
13 1.11 11
14 3.64 36
15 7.58 76
26 3.13 31
27 20.51 205
28 64.95 650
29 99.09 991
30 99.99 999
31 8.28 83
32 4.24 42
33 1.01 10
37 2.83 28
38 2.03 20
39 5.15 52
40 1.41 14
41 3.84 38
42 2.73 27
43 1.11 11
53 1.62 16
55 2.73 27
57 22.25 223
58 78.69 787
59 4.75 48
//