MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003723
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003723
RECORD_TITLE: BETA-(P-PROPIONAMIDOPHENOXY)-ACROLEIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: BETA-(P-PROPIONAMIDOPHENOXY)-ACROLEIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H13NO3
CH$EXACT_MASS: 219.08954
CH$SMILES: O=CC=COc(c1)ccc(NC(=O)CC)c1
CH$IUPAC: InChI=1S/C12H13NO3/c1-2-12(15)13-10-4-6-11(7-5-10)16-9-3-8-14/h3-9H,2H2,1H3,(H,13,15)/b9-3+
CH$LINK: INCHIKEY
CCIBQOHCLWDWLC-YCRREMRBSA-N
AC$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$SPLASH: splash10-0a4i-4900000000-2283237993e685213a56
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
39 5.6 56
40 0.9 9
41 2.1 21
42 0.29 3
43 8.8 88
44 2.1 21
45 2.1 21
46 0.22 2
50 1.4 14
51 2.7 27
52 4.1 41
53 0.47 5
54 1.4 14
55 2.4 24
57 17.4 174
63 0.14 1
64 0.9 9
65 2.4 24
71 5.3 53
72 1.18 12
77 1.2 12
78 0.7 7
79 1 10
80 0.41 4
81 5.9 59
82 0.9 9
93 7.6 76
94 0.12 1
105 1.2 12
106 0.7 7
107 1.3 13
108 1.03 10
109 99.99 999
110 9.4 94
115 0.7 7
123 0.14 1
133 1.2 12
134 1.2 12
135 1.4 14
136 0.09 1
137 0.7 7
144 2.6 26
151 2.1 21
161 0.09 1
162 5.6 56
163 7.4 74
164 1.2 12
165 2.65 27
166 2.9 29
180 0.6 6
218 0.7 7
219 1.09 11
220 1.3 13
//
system version 2.2.8-SNAPSHOT