MassBank Record: JP006515



 P-CRESYL VALERATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP006515
RECORD_TITLE: P-CRESYL VALERATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HISAHIRO HAGIWARACHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV., CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: P-CRESYL VALERATE CH$NAME: 4-METHYLPHENYL PENTANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16O2 CH$EXACT_MASS: 192.11503 CH$SMILES: CCCCC(=O)Oc(c1)ccc(C)c1 CH$IUPAC: InChI=1S/C12H16O2/c1-3-4-5-12(13)14-11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3 CH$LINK: INCHIKEY XDIFYXKFWPNGRV-UHFFFAOYSA-N
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$SPLASH: splash10-0a4i-7900000000-14c1b3524aa3fc85560e PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 27 6.61 66 29 10.89 109 32 1.46 15 39 5.12 51 41 9.59 96 42 1.43 14 50 1.28 13 51 3.16 32 52 2.24 22 53 2.65 27 55 3.79 38 57 24.65 247 58 1.14 11 63 1.19 12 65 2.32 23 77 7.74 77 78 2.86 29 79 3.34 33 80 1.8 18 85 6.88 69 90 1.55 16 91 3.36 34 107 13.41 134 108 99.99 999 109 7.31 73 192 4.64 46 //