MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008522
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008522
RECORD_TITLE: PROPYL CINNAMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: PROPYL CINNAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H14O2
CH$EXACT_MASS: 190.09938
CH$SMILES: CCCOC(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C12H14O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8+
CH$LINK: INCHIKEY
OLLPXZHNCXACMM-CMDGGOBGSA-N
CH$LINK: COMPTOX
DTXSID00225514
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0f8a-3900000000-38ffea49b62d2233a8d1
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
26 1 10
27 12.51 125
29 3.3 33
39 4.64 46
41 7.65 77
42 1.58 16
43 3.6 36
50 4 40
51 16.41 164
52 2.17 22
63 2.68 27
74 1.96 20
75 2.61 26
76 3.76 38
77 37.27 373
78 3.03 30
91 3.08 31
101 1.25 13
102 14.32 143
103 49.72 497
104 12.18 122
105 1.39 14
120 1.89 19
130 1.84 18
131 99.99 999
132 10.57 106
133 1.5 15
146 1.15 12
147 33.19 332
148 49.21 492
149 4.62 46
190 16.51 165
191 1.77 18
//