MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001395
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001395
RECORD_TITLE: 4-PIPEROYLMORPHOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 4-PIPEROYLMORPHOLINE
CH$NAME: N-(5-(3,4-METHYLENEDIOXYPHENYL)-2,4-PENTADIENOYL)MORPHOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H17NO4
CH$EXACT_MASS: 287.11576
CH$SMILES: O=C(C=CC=Cc(c2)cc(O3)c(OC3)c2)N(C1)CCOC1
CH$IUPAC: InChI=1S/C16H17NO4/c18-16(17-7-9-19-10-8-17)4-2-1-3-13-5-6-14-15(11-13)21-12-20-14/h1-6,11H,7-10,12H2/b3-1+,4-2+
CH$LINK: INCHIKEY
BVFLEPVRTQXJQL-ZPUQHVIOSA-N
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0udr-0390000000-3099f3ad9806da52919c
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
86 3.5 35
114 2 20
115 17.8 178
116 0.39 4
117 1.4 14
135 1.2 12
139 1.5 15
143 1.19 12
144 3.7 37
159 2.8 28
171 9 90
172 1.15 12
173 33.3 333
174 9.2 92
200 10 100
201 99.99 999
202 17.4 174
203 1.5 15
229 1 10
259 0.11 1
286 1.7 17
287 61.9 619
288 11.1 111
289 1.2 12
//