MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002901
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002901
RECORD_TITLE: ACRYLAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: ACRYLAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H5NO
CH$EXACT_MASS: 71.03711
CH$SMILES: C=CC(N)=O
CH$IUPAC: InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
CH$LINK: INCHIKEY
HRPVXLWXLXDGHG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5020027
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-05dl-9000000000-7803f8bd1c25c6f33593
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
14 3.45 35
15 5.24 52
16 9.62 96
25 2.07 21
26 25.01 250
27 88.65 887
28 17.96 180
29 2.27 23
30 17.2 172
42 4.89 49
43 18.53 185
44 87.88 879
45 4.79 48
52 2.98 30
53 5.63 56
55 68.9 689
70 5.38 54
71 99.99 999
72 2.96 30
//