MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010305
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010305
RECORD_TITLE: ISOPENTYL PARA-HYDROXYBENZOATE; 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$NAME: ISOPENTYL PARA-HYDROXYBENZOATE
CH$NAME: 3-METHYLBUTYL 4-HYDROXYBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16O3
CH$EXACT_MASS: 208.10994
CH$SMILES: CC(C)CCOC(=O)c(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-6,9,13H,7-8H2,1-2H3
CH$LINK: INCHIKEY
KSHVDKDQYBNSAN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4064397
AC$INSTRUMENT: HITACHI M-80A
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: splash10-00dr-4900000000-647b913ce57c2da1529a
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
27 3.55 36
29 3.17 32
39 6.95 70
41 7.19 72
42 1.88 19
43 6.66 67
53 1.19 12
55 6.09 61
63 2.55 26
64 1.89 19
65 12.59 126
66 1.13 11
69 1 10
70 17.9 179
71 1.53 15
92 3.62 36
93 15.67 157
94 1.73 17
95 3.09 31
120 1.53 15
121 99.99 999
122 8.86 89
123 1.07 11
138 61.24 612
139 37.18 372
140 3.24 32
151 1.49 15
152 1.31 13
208 1.66 17
//