MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005477
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005477
RECORD_TITLE: METHYL (E)-4-CARBAMOYLOXY-2-PENTENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HIRAMA M, TOHOKU UNIV. FACULTY OF SCIENCE DEPT. OF CHEMISTRY YUKIBUNSEKI
LICENSE: CC BY-NC-SA
CH$NAME: METHYL (E)-4-CARBAMOYLOXY-2-PENTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H11NO4
CH$EXACT_MASS: 173.06881
CH$SMILES: COC(=O)C=CC(C)OC(N)=O
CH$IUPAC: InChI=1S/C7H11NO4/c1-5(12-7(8)10)3-4-6(9)11-2/h3-5H,1-2H3,(H2,8,10)/b4-3+
CH$LINK: INCHIKEY
ATZBOVFCGNYIIN-ONEGZZNKSA-N
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-008i-9800000000-8e98f63eda2efc021e32
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
43 1.13 11
55 3.84 38
70 5.43 54
71 59.91 599
81 4.37 44
82 12.06 121
87 99.99 999
88 3.77 38
96 1.96 20
97 5.28 53
98 18.09 181
99 14.92 149
100 3.99 40
101 3.99 40
112 5.5 55
113 36.62 366
114 9.5 95
115 1.96 20
116 1.58 16
130 96.46 965
131 8.97 90
141 38.28 383
142 3.69 37
174 2.71 27
//
system version 2.2.8-SNAPSHOT