MassBank Record: JP002955



 ALPHA-ACETYL DELTA-VALEROLACTONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002955
RECORD_TITLE: ALPHA-ACETYL DELTA-VALEROLACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA-ACETYL DELTA-VALEROLACTONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H10O3 CH$EXACT_MASS: 142.06299 CH$SMILES: CC(=O)C(C1)C(=O)OCC1 CH$IUPAC: InChI=1S/C7H10O3/c1-5(8)6-3-2-4-10-7(6)9/h6H,2-4H2,1H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9300000000-017c99dda7488f838b76 PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 15 9.96 100 26 2.37 24 27 14.35 144 28 6.99 70 29 9.93 99 31 2.24 22 39 12.02 120 40 2.52 25 41 10.61 106 42 6.57 66 43 99.99 999 44 6.07 61 45 4.06 41 53 7.25 73 54 7.97 80 55 27.57 276 56 6.71 67 57 2.27 23 58 5.29 53 69 7.04 70 70 2.14 21 71 3 30 72 2.61 26 73 7.57 76 81 5.23 52 82 7.24 72 83 2.51 25 84 4.66 47 85 2.91 29 96 5.71 57 97 2.58 26 99 20.81 208 100 54.52 545 101 3.33 33 109 12.26 123 124 6.68 67 127 16.29 163 142 14.46 145 //