MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005953
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005953
RECORD_TITLE: PHENYLURETHAN; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PHENYLURETHAN
CH$NAME: PHENYLCARBAMIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H11NO2
CH$EXACT_MASS: 165.07898
CH$SMILES: CCOC(=O)Nc(c1)cccc1
CH$IUPAC: InChI=1S/C9H11NO2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
CH$LINK: INCHIKEY
LBKPGNUOUPTQKA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0059243
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-014l-3900000000-fefdb8a0297a975a4672
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
77 8.12 81
78 1.9 19
79 3.07 31
91 5.07 51
92 11.29 113
93 54.17 542
94 7.07 71
104 1.99 20
105 1.41 14
106 40.06 401
107 2.95 30
119 9.18 92
120 18.66 187
137 3.87 39
138 11.6 116
165 99.99 999
166 19.19 192
167 1.41 14
//