MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009175
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009175
RECORD_TITLE: PROPIONIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-004i-9000000000-691dcd080b30c9898350
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
14 2.63 26
15 3.04 30
17 1.1 11
18 3.47 35
25 2.69 27
26 24.73 247
27 70.66 707
28 99.99 999
29 79.1 791
30 10.99 110
31 4.36 44
41 1.08 11
42 4.13 41
43 2.28 23
44 1.64 16
45 52.06 521
46 3.72 37
47 2.49 25
53 1.95 20
55 9.19 92
56 7.86 79
57 24.31 243
58 1.13 11
73 33.9 339
74 53.54 535
75 1.6 16
//