MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011828
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011828
RECORD_TITLE: (4S)-PERHYDRO-3-BENZYL-4-METHYL-1,3-OXAZIN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHINORI Y, FAC. SCIENCE, TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (4S)-PERHYDRO-3-BENZYL-4-METHYL-1,3-OXAZIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H15NO2
CH$EXACT_MASS: 205.11028
CH$SMILES: O=C(O1)N(Cc(c2)cccc2)C([H])(C)CC1
CH$IUPAC: InChI=1S/C12H15NO2/c1-10-7-8-15-12(14)13(10)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/t10-/m0/s1
CH$LINK: INCHIKEY
PHCSJPZLPYZQAY-JTQLQIEISA-N
AC$INSTRUMENT: Unknown
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: splash10-0a4i-4690000000-f5905dc87a9dc3a5b190
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
41 1.6 16
56 3.7 37
65 5.3 53
77 1.2 12
79 2.7 27
89 1.3 13
91 45.4 454
92 2.7 27
104 12.2 122
105 2.9 29
106 10.8 108
114 3.2 32
128 3.7 37
129 3.1 31
132 6.2 62
146 3.9 39
150 14.9 149
160 4.3 43
162 6.2 62
163 4.6 46
176 2 20
190 7.7 77
204 4.8 48
205 99.99 999
206 12.3 123
//