MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009827
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009827
RECORD_TITLE: METHYL 4-PHENYL-2-OXO-3-BUTENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 4-PHENYL-2-OXO-3-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H10O3
CH$EXACT_MASS: 190.06299
CH$SMILES: COC(=O)C(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H10O3/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
CH$LINK: INCHIKEY
ZWDYRZGSCHGREX-BQYQJAHWSA-N
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-2900000000-93d0a927c97390ca079c
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
32 1.9 19
45 3.3 33
50 3 30
51 1.06 11
76 1.6 16
77 20.2 202
102 5 50
103 4.25 43
104 3.8 38
128 1.6 16
131 99.99 999
132 0.95 10
135 1.6 16
148 1.6 16
190 3.1 31
//
system version 2.2.8-SNAPSHOT