MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005852
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005852
RECORD_TITLE: PROPIONIC ACID; 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$NAME: PROPIONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H6O2
CH$EXACT_MASS: 74.03678
CH$SMILES: CCC(O)=O
CH$IUPAC: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
CH$LINK: INCHIKEY
XBDQKXXYIPTUBI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8025961
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$SPLASH: splash10-004i-9000000000-51f674be972a6c17185b
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
14 2.54 25
15 3.44 34
25 3.08 31
26 21.01 210
27 59.78 598
28 99.99 999
29 83.51 835
30 16.49 165
31 4.17 42
42 3.26 33
43 2.54 25
44 1.09 11
45 49.64 496
46 4.89 49
47 2.9 29
53 1.63 16
55 11.78 118
56 10.87 109
57 24.64 246
73 43.84 438
74 69.93 699
75 2.9 29
//