MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004265
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004265
RECORD_TITLE: PROPENOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PROPENOIC ACID
CH$NAME: ACRYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H4O2
CH$EXACT_MASS: 72.02113
CH$SMILES: C=CC(O)=O
CH$IUPAC: InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
CH$LINK: CAS
79-10-7
CH$LINK: INCHIKEY
NIXOWILDQLNWCW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0039229
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-00b9-9000000000-ebdb7274700971cd6f14
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
15 1.27 13
25 6.82 68
26 46.85 469
27 99.81 998
28 17.16 172
29 4.59 46
43 5.8 58
44 23.96 240
45 32.12 321
46 2.23 22
53 4.4 44
54 1.4 14
55 74.06 741
56 2.23 22
71 5.48 55
72 99.99 999
73 4.4 44
//
system version 2.2.6-SNAPSHOT