MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000049
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000049
RECORD_TITLE: ETHYL PARA TOLUATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL PARA TOLUATE
CH$NAME: PARA TOLUIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: CCOC(=O)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY
NWPWRAWAUYIELB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5048211
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-014l-9200000000-17fcf8f438b04fd7f2bc
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
15 8.61 86
26 7.28 73
27 42.91 429
29 35.76 358
38 7.41 74
39 61.59 616
40 4.64 46
41 14.04 140
43 3.44 34
45 3.18 32
50 13.91 139
51 20.66 207
52 5.29 53
53 3.25 33
61 1.92 19
62 9.34 93
63 29.93 299
64 8.34 83
65 80.26 803
66 4.11 41
77 5.43 54
89 13.91 139
90 7.95 80
91 93.44 934
92 10.79 108
119 99.99 999
120 10.13 101
136 15.89 159
137 1.19 12
149 1.52 15
164 7.42 74
165 0.93 9
//