MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000060
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000060
RECORD_TITLE: ISOAMYL 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$NAME: ISOAMYL PARA TOLUATE
CH$NAME: PARA TOLUIC ACID ISOAMYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H18O2
CH$EXACT_MASS: 206.13068
CH$SMILES: CC(C)CCOC(=O)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C13H18O2/c1-10(2)8-9-15-13(14)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3
CH$LINK: INCHIKEY
WDNOGGRIGNCXKH-UHFFFAOYSA-N
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$SPLASH: splash10-01bi-9800000000-93f62af651781dfa750a
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
27 2.55 26
29 3.16 32
39 5.23 52
41 7.9 79
42 7.96 80
43 7.23 72
55 18.91 189
63 1.64 16
65 14.1 141
69 1.16 12
70 70.15 702
71 3.53 35
89 3.16 32
90 1.95 20
91 42.55 426
92 5.47 55
93 5.53 55
119 99.99 999
120 8.88 89
136 31.61 316
137 39.21 392
138 3.4 34
//