MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007059
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007059
RECORD_TITLE: P-CRESYL FORMATE; 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$NAME: P-CRESYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O2
CH$EXACT_MASS: 136.05243
CH$SMILES: O=COc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C8H8O2/c1-7-2-4-8(5-3-7)10-6-9/h2-6H,1H3
CH$LINK: INCHIKEY
NEIANUMOAXBNRT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3062025
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$SPLASH: splash10-0a4i-8900000000-e9466d9d0c9014bf2c19
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
26 2.22 22
27 11.78 118
29 17.74 177
37 1.1 11
38 2.59 26
39 14.23 142
40 1.16 12
41 1.14 11
49 1.03 10
50 10.42 104
51 18.07 181
52 10.27 103
53 11.37 114
55 2.14 21
61 1.16 12
62 2.69 27
63 7.19 72
64 1.61 16
65 5.81 58
74 1.56 16
77 29.59 296
78 9.8 98
79 21.15 212
80 7.39 74
81 1.33 13
89 2.36 24
90 8.63 86
91 5.82 58
106 1.06 11
107 99.99 999
108 85.05 851
109 6.89 69
136 34.51 345
137 2.47 25
//
system version 2.2.6-SNAPSHOT