MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001387
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001387
RECORD_TITLE: N-VANILLYLNONANAMIDE; 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$NAME: N-VANILLYLNONANAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H27NO3
CH$EXACT_MASS: 293.19909
CH$SMILES: CCCCCCCCC(=O)NCc(c1)cc(OC)c(O)c1
CH$IUPAC: InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)
CH$LINK: INCHIKEY
RGOVYLWUIBMPGK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1034769
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$SPLASH: splash10-000i-0900000000-6f2029bbeaa0669340a0
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
72 1.1 11
110 1 10
122 2.7 27
124 0.14 1
136 5.1 51
137 99.99 999
138 14.2 142
139 0.14 1
150 2.8 28
151 24.5 245
152 11.6 116
153 0.4 4
164 1.6 16
178 3.8 38
194 2.4 24
195 3.6 36
196 3.9 39
208 2.7 27
294 7.4 74
//